REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bzd_1_C DATA FIRST_RESID 48 DATA SEQUENCE EPLYTEQDLA VNGREGFPNY RIPALTVTPD GDLLASYDGR PTGIDAPGPN DATA SEQUENCE SILQRRSTDG GRTWGEQQVV SAGQTTAPIK GFSDPSYLVD RETGTIFNFH DATA SEQUENCE VYSQRQGFAG SRPGTDPADP NVLHANVATS TDGGLTWSHR TITADITPDP DATA SEQUENCE GWRSRFAASG EGIQLRYGPH AGRLIQQYTI INAAGAFQAV SVYSDDHGRT DATA SEQUENCE WRAGEAVGVG MDANKTVELS DGRVLLNSRD SARSGYRKVA VSTDGGHSYG DATA SEQUENCE PVTIDRDLPD PTNNASIIRA FPDAPAGSAR AKVLLFSNAA SQTSRSQGTI DATA SEQUENCE RMScDDGQTW PVSKVFQPGS MSYSTLTALP DGTYGLLYEP GTGIRYANFN DATA SEQUENCE LAWLGGIcAP FTIPDVALEP GQQVTVPVAV TNQSGIAVPK PSLQLDASPD DATA SEQUENCE WQVQGSVEPL MPGRQAKGQV TITVPAGTTP GRYRVGATLR TSAGNASTTF DATA SEQUENCE TVTVGLLDQA RMSIADVDSE ETAREDGRAS NVIDGNPSTF WHTEWSRADA DATA SEQUENCE PGYPHRISLD LGGTHTISGL QYTRRQNSAN EQVADYEIYT SLNGTTWDGP DATA SEQUENCE VASGRFTTSL APQRAVFPAR DARYIRLVAL SEQTGHKYAA VAELEVEGQR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 48 E HA 0.000 nan 4.350 nan 0.000 0.291 48 E C 0.000 176.696 176.600 0.159 0.000 1.382 48 E CA 0.000 56.469 56.400 0.115 0.000 0.976 48 E CB 0.000 29.760 29.700 0.100 0.000 0.812 49 P HA 0.029 nan 4.420 nan 0.000 0.258 49 P C -0.990 176.486 177.300 0.294 0.000 1.187 49 P CA 0.265 63.531 63.100 0.276 0.000 0.767 49 P CB 0.122 31.972 31.700 0.249 0.000 0.770 50 L N 5.660 127.083 121.223 0.333 0.000 2.356 50 L HA 0.628 4.958 4.340 -0.016 0.000 0.277 50 L C -1.626 175.347 176.870 0.172 0.000 0.996 50 L CA -0.780 54.195 54.840 0.224 0.000 0.822 50 L CB 1.269 43.407 42.059 0.132 0.000 1.256 50 L HN 0.244 nan 8.230 nan 0.000 0.413 51 Y N 4.030 124.286 120.300 -0.074 0.000 2.331 51 Y HA 0.651 5.192 4.550 -0.016 0.000 0.326 51 Y C -0.743 175.066 175.900 -0.151 0.000 1.020 51 Y CA -0.229 57.665 58.100 -0.344 0.000 1.136 51 Y CB 1.753 39.699 38.460 -0.856 0.000 1.157 51 Y HN 0.759 nan 8.280 nan 0.000 0.444 52 T N 1.932 116.176 114.554 -0.518 0.000 2.906 52 T HA 0.724 5.065 4.350 -0.016 0.000 0.295 52 T C -1.074 173.395 174.700 -0.384 0.000 1.061 52 T CA -0.855 61.089 62.100 -0.260 0.000 1.000 52 T CB 2.427 71.232 68.868 -0.105 0.000 1.103 52 T HN 0.651 nan 8.240 nan 0.000 0.486 53 E N 0.815 120.930 120.200 -0.142 0.000 2.340 53 E HA 0.489 4.829 4.350 -0.016 0.000 0.273 53 E C -1.201 175.385 176.600 -0.024 0.000 0.891 53 E CA -0.907 55.430 56.400 -0.104 0.000 0.757 53 E CB 2.482 32.195 29.700 0.022 0.000 1.231 53 E HN 0.816 nan 8.360 nan 0.000 0.439 54 Q N 1.445 121.229 119.800 -0.027 0.000 2.377 54 Q HA 0.435 4.765 4.340 -0.016 0.000 0.279 54 Q C -1.420 174.503 176.000 -0.129 0.000 1.049 54 Q CA -1.036 54.746 55.803 -0.035 0.000 0.825 54 Q CB 1.787 30.540 28.738 0.025 0.000 1.401 54 Q HN 0.216 nan 8.270 nan 0.000 0.404 55 D N 2.277 122.588 120.400 -0.148 0.000 2.351 55 D HA 0.189 4.819 4.640 -0.016 0.000 0.251 55 D C 0.532 176.662 176.300 -0.283 0.000 1.137 55 D CA -0.024 53.840 54.000 -0.226 0.000 0.879 55 D CB 1.419 42.112 40.800 -0.177 0.000 1.181 55 D HN 0.566 nan 8.370 nan 0.000 0.448 56 L N 0.671 121.650 121.223 -0.408 0.000 2.463 56 L HA 0.277 4.608 4.340 -0.016 0.000 0.219 56 L C 0.719 177.302 176.870 -0.479 0.000 1.088 56 L CA 0.266 54.822 54.840 -0.472 0.000 0.849 56 L CB 0.252 41.931 42.059 -0.634 0.000 1.012 56 L HN 0.302 nan 8.230 nan 0.000 0.468 57 A N 0.084 122.547 122.820 -0.594 0.000 2.459 57 A HA 0.651 4.961 4.320 -0.016 0.000 0.296 57 A C -1.219 176.108 177.584 -0.428 0.000 1.039 57 A CA -0.299 51.285 52.037 -0.755 0.000 0.698 57 A CB 1.835 19.953 19.000 -1.471 0.000 1.261 57 A HN -0.165 nan 8.150 nan 0.000 0.405 58 V N 3.463 123.262 119.914 -0.192 0.000 2.407 58 V HA 0.250 4.360 4.120 -0.016 0.000 0.291 58 V C -0.388 175.847 176.094 0.236 0.000 1.018 58 V CA -1.179 61.125 62.300 0.007 0.000 0.842 58 V CB 1.563 33.377 31.823 -0.015 0.000 0.996 58 V HN 0.896 nan 8.190 nan 0.000 0.426 59 N N 3.960 122.809 118.700 0.250 0.000 2.030 59 N HA 0.026 4.756 4.740 -0.016 0.000 0.292 59 N C 1.297 176.877 175.510 0.116 0.000 1.315 59 N CA 1.577 54.728 53.050 0.168 0.000 0.810 59 N CB 0.423 38.943 38.487 0.056 0.000 1.048 59 N HN 1.217 nan 8.380 nan 0.000 0.492 60 G N 1.084 109.944 108.800 0.100 0.000 2.234 60 G HA2 -0.285 3.665 3.960 -0.016 0.000 0.235 60 G HA3 -0.285 3.665 3.960 -0.016 0.000 0.235 60 G C 0.046 175.004 174.900 0.098 0.000 0.997 60 G CA -0.177 44.960 45.100 0.062 0.000 0.623 60 G HN 0.563 nan 8.290 nan 0.000 0.514 61 R N 0.639 121.250 120.500 0.185 0.000 2.407 61 R HA 0.669 4.999 4.340 -0.016 0.000 0.303 61 R C 0.720 177.175 176.300 0.258 0.000 0.981 61 R CA -0.295 55.903 56.100 0.163 0.000 0.905 61 R CB 0.729 31.094 30.300 0.108 0.000 1.099 61 R HN 0.239 nan 8.270 nan 0.000 0.459 62 E N 1.188 121.488 120.200 0.167 0.000 2.957 62 E HA -0.209 4.131 4.350 -0.016 0.000 0.287 62 E C 0.371 177.098 176.600 0.212 0.000 0.976 62 E CA 1.236 57.745 56.400 0.182 0.000 0.907 62 E CB -1.493 28.323 29.700 0.194 0.000 1.456 62 E HN 1.075 nan 8.360 nan 0.000 0.421 63 G N -1.103 107.739 108.800 0.069 0.000 2.229 63 G HA2 -0.204 3.746 3.960 -0.016 0.000 0.189 63 G HA3 -0.204 3.746 3.960 -0.016 0.000 0.189 63 G C -0.115 174.405 174.900 -0.633 0.000 1.000 63 G CA -0.102 44.848 45.100 -0.250 0.000 0.663 63 G HN 0.129 nan 8.290 nan 0.000 0.493 64 F N 0.206 120.116 119.950 -0.067 0.000 2.578 64 F HA 0.573 5.101 4.527 0.001 0.000 0.311 64 F C -1.608 173.996 175.800 -0.327 0.000 1.094 64 F CA -1.920 55.902 58.000 -0.296 0.000 0.923 64 F CB 2.380 41.017 39.000 -0.605 0.000 1.230 64 F HN -0.169 nan 8.300 nan 0.000 0.450 65 P HA -0.050 nan 4.420 nan 0.000 0.236 65 P C -0.549 176.681 177.300 -0.116 0.000 1.177 65 P CA 0.890 63.945 63.100 -0.074 0.000 0.773 65 P CB 0.687 32.358 31.700 -0.049 0.000 0.878 66 N N -0.814 117.750 118.700 -0.226 0.000 2.324 66 N HA 0.191 4.921 4.740 -0.016 0.000 0.285 66 N C -1.863 173.402 175.510 -0.408 0.000 1.076 66 N CA -0.362 52.559 53.050 -0.215 0.000 0.864 66 N CB 1.624 40.040 38.487 -0.118 0.000 1.632 66 N HN -0.281 nan 8.380 nan 0.000 0.478 67 Y N 1.308 121.586 120.300 -0.037 0.000 2.425 67 Y HA 0.590 5.131 4.550 -0.016 0.000 0.344 67 Y C 0.327 176.166 175.900 -0.101 0.000 0.969 67 Y CA -0.592 57.469 58.100 -0.066 0.000 1.052 67 Y CB 1.891 40.280 38.460 -0.119 0.000 1.215 67 Y HN 0.296 nan 8.280 nan 0.000 0.451 68 R N 2.173 122.718 120.500 0.076 0.000 2.733 68 R HA 0.599 4.929 4.340 -0.016 0.000 0.272 68 R C -1.763 174.554 176.300 0.027 0.000 1.029 68 R CA -1.070 55.017 56.100 -0.020 0.000 0.888 68 R CB 2.350 32.578 30.300 -0.120 0.000 1.251 68 R HN 0.638 nan 8.270 nan 0.000 0.464 69 I N -0.144 120.429 120.570 0.005 0.000 6.421 69 I HA -0.113 4.047 4.170 -0.016 0.000 0.126 69 I C -2.543 173.676 176.117 0.170 0.000 1.825 69 I CA -0.528 60.842 61.300 0.116 0.000 2.037 69 I CB -1.747 36.300 38.000 0.079 0.000 3.486 69 I HN 0.495 nan 8.210 nan 0.000 0.169 70 P HA 0.492 nan 4.420 nan 0.000 0.275 70 P C -0.336 177.063 177.300 0.165 0.000 1.227 70 P CA 0.016 63.224 63.100 0.179 0.000 0.781 70 P CB 1.949 33.744 31.700 0.158 0.000 0.906 71 A N 3.239 126.162 122.820 0.172 0.000 2.422 71 A HA 0.701 5.011 4.320 -0.016 0.000 0.302 71 A C -1.602 176.224 177.584 0.403 0.000 1.041 71 A CA -0.636 51.520 52.037 0.198 0.000 0.708 71 A CB 1.167 20.148 19.000 -0.032 0.000 1.257 71 A HN 0.513 nan 8.150 nan 0.000 0.414 72 L N 1.284 122.774 121.223 0.444 0.000 2.431 72 L HA 0.913 5.243 4.340 -0.016 0.000 0.266 72 L C -0.266 176.775 176.870 0.286 0.000 0.978 72 L CA 0.371 55.443 54.840 0.387 0.000 0.822 72 L CB 2.363 44.599 42.059 0.294 0.000 1.310 72 L HN 0.905 nan 8.230 nan 0.000 0.409 73 T N 2.328 116.924 114.554 0.069 0.000 2.762 73 T HA 0.729 5.069 4.350 -0.016 0.000 0.301 73 T C -1.890 172.757 174.700 -0.089 0.000 1.299 73 T CA -0.345 61.730 62.100 -0.042 0.000 1.005 73 T CB 1.451 70.228 68.868 -0.152 0.000 1.377 73 T HN 0.359 nan 8.240 nan 0.000 0.504 74 V N 2.952 122.825 119.914 -0.068 0.000 2.444 74 V HA 0.531 4.641 4.120 -0.016 0.000 0.294 74 V C 0.800 176.842 176.094 -0.087 0.000 1.022 74 V CA -0.800 61.452 62.300 -0.079 0.000 0.850 74 V CB 1.373 33.166 31.823 -0.050 0.000 0.992 74 V HN 1.124 nan 8.190 nan 0.000 0.426 75 T N 2.733 117.219 114.554 -0.113 0.000 2.813 75 T HA 0.240 4.580 4.350 -0.016 0.000 0.297 75 T C -1.555 173.099 174.700 -0.077 0.000 1.036 75 T CA -1.216 60.822 62.100 -0.103 0.000 1.044 75 T CB 1.107 69.901 68.868 -0.124 0.000 0.993 75 T HN 0.427 nan 8.240 nan 0.000 0.535 76 P HA -0.059 nan 4.420 nan 0.000 0.217 76 P C 0.754 178.019 177.300 -0.059 0.000 1.148 76 P CA 0.981 64.050 63.100 -0.052 0.000 0.828 76 P CB -0.013 31.656 31.700 -0.052 0.000 0.783 77 D N -2.214 118.141 120.400 -0.075 0.000 2.349 77 D HA 0.119 4.749 4.640 -0.016 0.000 0.224 77 D C 1.567 177.816 176.300 -0.084 0.000 1.029 77 D CA 1.038 54.992 54.000 -0.077 0.000 0.879 77 D CB -0.407 40.342 40.800 -0.084 0.000 0.906 77 D HN 0.168 nan 8.370 nan 0.000 0.528 78 G N 0.751 109.498 108.800 -0.088 0.000 2.176 78 G HA2 -0.221 3.729 3.960 -0.016 0.000 0.232 78 G HA3 -0.221 3.729 3.960 -0.016 0.000 0.232 78 G C -0.192 174.629 174.900 -0.132 0.000 0.986 78 G CA -0.336 44.705 45.100 -0.098 0.000 0.643 78 G HN 0.208 nan 8.290 nan 0.000 0.522 79 D N 0.377 120.691 120.400 -0.144 0.000 2.345 79 D HA 0.531 5.161 4.640 -0.016 0.000 0.247 79 D C 0.560 176.741 176.300 -0.199 0.000 1.108 79 D CA -0.072 53.815 54.000 -0.188 0.000 0.894 79 D CB 1.245 41.944 40.800 -0.167 0.000 1.203 79 D HN 0.113 nan 8.370 nan 0.000 0.430 80 L N 1.780 122.833 121.223 -0.284 0.000 2.312 80 L HA 0.384 4.715 4.340 -0.016 0.000 0.281 80 L C -0.126 176.676 176.870 -0.114 0.000 1.070 80 L CA -0.241 54.468 54.840 -0.218 0.000 0.805 80 L CB 0.752 42.622 42.059 -0.314 0.000 1.174 80 L HN 0.150 nan 8.230 nan 0.000 0.434 81 L N 3.171 124.391 121.223 -0.004 0.000 2.333 81 L HA 0.815 5.145 4.340 -0.016 0.000 0.280 81 L C -0.253 176.790 176.870 0.289 0.000 1.004 81 L CA -0.655 54.246 54.840 0.102 0.000 0.820 81 L CB 1.746 43.678 42.059 -0.212 0.000 1.247 81 L HN 0.713 nan 8.230 nan 0.000 0.416 82 A N 2.374 125.461 122.820 0.446 0.000 2.331 82 A HA 0.760 5.070 4.320 -0.016 0.000 0.320 82 A C -0.537 177.269 177.584 0.371 0.000 1.138 82 A CA -0.413 51.853 52.037 0.383 0.000 0.790 82 A CB 1.800 20.842 19.000 0.070 0.000 1.206 82 A HN 0.564 nan 8.150 nan 0.000 0.470 83 S N 1.256 117.151 115.700 0.325 0.000 2.570 83 S HA 0.940 5.400 4.470 -0.016 0.000 0.286 83 S C -1.127 173.492 174.600 0.031 0.000 1.099 83 S CA -0.435 57.734 58.200 -0.052 0.000 0.913 83 S CB 0.959 63.948 63.200 -0.352 0.000 1.085 83 S HN 1.381 nan 8.310 nan 0.000 0.480 84 Y N -0.543 119.694 120.300 -0.105 0.000 2.741 84 Y HA 0.549 5.089 4.550 -0.018 0.000 0.339 84 Y C -1.455 174.375 175.900 -0.116 0.000 1.226 84 Y CA -1.389 56.659 58.100 -0.087 0.000 1.072 84 Y CB -0.066 38.355 38.460 -0.065 0.000 1.331 84 Y HN 0.367 nan 8.280 nan 0.000 0.453 85 D N 0.710 121.149 120.400 0.066 0.000 2.302 85 D HA 0.470 5.100 4.640 -0.016 0.000 0.248 85 D C -0.001 176.268 176.300 -0.050 0.000 1.094 85 D CA 0.330 54.286 54.000 -0.072 0.000 0.897 85 D CB 1.586 42.347 40.800 -0.066 0.000 1.200 85 D HN 0.959 nan 8.370 nan 0.000 0.429 86 G N 1.402 109.933 108.800 -0.447 0.000 2.332 86 G HA2 0.505 4.455 3.960 -0.016 0.000 0.310 86 G HA3 0.505 4.455 3.960 -0.016 0.000 0.310 86 G C -0.335 174.180 174.900 -0.640 0.000 1.123 86 G CA -0.742 43.714 45.100 -1.074 0.000 0.873 86 G HN 0.278 nan 8.290 nan 0.000 0.460 87 R N 3.321 123.629 120.500 -0.322 0.000 2.415 87 R HA 0.220 4.550 4.340 -0.016 0.000 0.292 87 R C -2.063 174.261 176.300 0.040 0.000 1.295 87 R CA -1.527 54.515 56.100 -0.096 0.000 1.137 87 R CB 2.487 32.720 30.300 -0.111 0.000 1.135 87 R HN 0.304 nan 8.270 nan 0.000 0.560 88 P HA -0.150 nan 4.420 nan 0.000 0.221 88 P C 0.920 178.238 177.300 0.030 0.000 1.145 88 P CA 1.349 64.527 63.100 0.130 0.000 0.795 88 P CB 0.404 32.174 31.700 0.116 0.000 0.775 89 T N -7.300 107.258 114.554 0.007 0.000 3.111 89 T HA 0.465 4.805 4.350 -0.016 0.000 0.284 89 T C 1.247 175.929 174.700 -0.029 0.000 0.983 89 T CA 0.227 62.318 62.100 -0.014 0.000 0.900 89 T CB -0.197 68.662 68.868 -0.015 0.000 1.132 89 T HN 0.165 nan 8.240 nan 0.000 0.531 90 G N 2.035 110.812 108.800 -0.039 0.000 2.136 90 G HA2 -0.189 3.761 3.960 -0.016 0.000 0.242 90 G HA3 -0.189 3.761 3.960 -0.016 0.000 0.242 90 G C -0.083 174.781 174.900 -0.061 0.000 0.989 90 G CA 0.275 45.342 45.100 -0.055 0.000 0.682 90 G HN 1.126 nan 8.290 nan 0.000 0.522 91 I N -3.343 117.191 120.570 -0.060 0.000 3.002 91 I HA 0.770 4.930 4.170 -0.016 0.000 0.310 91 I C -0.040 176.032 176.117 -0.075 0.000 1.087 91 I CA -1.617 59.644 61.300 -0.064 0.000 1.017 91 I CB 1.298 39.267 38.000 -0.051 0.000 1.226 91 I HN -0.138 nan 8.210 nan 0.000 0.443 92 D N 2.048 122.397 120.400 -0.085 0.000 2.312 92 D HA 0.221 4.851 4.640 -0.016 0.000 0.244 92 D C 0.366 176.618 176.300 -0.080 0.000 1.328 92 D CA 0.094 54.036 54.000 -0.096 0.000 0.965 92 D CB 0.329 41.056 40.800 -0.122 0.000 1.140 92 D HN 0.856 nan 8.370 nan 0.000 0.523 93 A N 1.011 123.780 122.820 -0.085 0.000 2.565 93 A HA 0.190 4.500 4.320 -0.016 0.000 0.237 93 A C -1.590 175.957 177.584 -0.062 0.000 1.053 93 A CA -0.555 51.438 52.037 -0.074 0.000 0.755 93 A CB -0.166 18.792 19.000 -0.071 0.000 0.980 93 A HN 0.369 nan 8.150 nan 0.000 0.506 94 P HA 0.165 nan 4.420 nan 0.000 0.241 94 P C 0.592 177.853 177.300 -0.065 0.000 1.783 94 P CA 0.155 63.210 63.100 -0.075 0.000 1.052 94 P CB -0.165 31.488 31.700 -0.078 0.000 1.594 95 G N 2.856 111.622 108.800 -0.057 0.000 2.474 95 G HA2 0.095 4.045 3.960 -0.016 0.000 0.233 95 G HA3 0.095 4.045 3.960 -0.016 0.000 0.233 95 G C -2.011 172.864 174.900 -0.042 0.000 1.278 95 G CA -0.776 44.297 45.100 -0.044 0.000 0.861 95 G HN 0.129 nan 8.290 nan 0.000 0.567 96 P HA 0.089 nan 4.420 nan 0.000 0.225 96 P C -0.511 176.809 177.300 0.033 0.000 1.813 96 P CA -0.520 62.580 63.100 -0.001 0.000 1.013 96 P CB 0.027 31.738 31.700 0.019 0.000 1.961 97 N N 0.421 119.121 118.700 0.000 0.000 2.483 97 N HA 0.240 4.971 4.740 -0.016 0.000 0.269 97 N C 0.184 175.721 175.510 0.045 0.000 1.209 97 N CA -0.005 53.041 53.050 -0.006 0.000 0.969 97 N CB 0.528 38.984 38.487 -0.051 0.000 1.173 97 N HN 0.090 nan 8.380 nan 0.000 0.475 98 S N 0.585 116.255 115.700 -0.051 0.000 2.503 98 S HA 0.497 4.957 4.470 -0.016 0.000 0.301 98 S C -0.079 174.398 174.600 -0.205 0.000 1.087 98 S CA -0.740 57.426 58.200 -0.056 0.000 1.042 98 S CB 1.150 64.332 63.200 -0.030 0.000 1.043 98 S HN 0.265 nan 8.310 nan 0.000 0.489 99 I N 3.432 123.848 120.570 -0.257 0.000 2.371 99 I HA 0.339 4.499 4.170 -0.016 0.000 0.290 99 I C -0.169 175.704 176.117 -0.406 0.000 1.028 99 I CA -0.099 60.961 61.300 -0.400 0.000 1.345 99 I CB -0.129 37.489 38.000 -0.636 0.000 1.407 99 I HN 0.478 nan 8.210 nan 0.000 0.501 100 L N 5.847 126.775 121.223 -0.491 0.000 2.303 100 L HA 0.625 4.955 4.340 -0.016 0.000 0.266 100 L C -0.244 176.286 176.870 -0.567 0.000 1.011 100 L CA -0.741 53.794 54.840 -0.509 0.000 0.818 100 L CB 2.002 43.698 42.059 -0.605 0.000 1.326 100 L HN 0.520 nan 8.230 nan 0.000 0.435 101 Q N 1.207 120.810 119.800 -0.328 0.000 2.315 101 Q HA 0.542 4.873 4.340 -0.016 0.000 0.273 101 Q C -1.681 174.336 176.000 0.028 0.000 1.053 101 Q CA -0.791 54.950 55.803 -0.103 0.000 0.817 101 Q CB 2.695 31.485 28.738 0.087 0.000 1.326 101 Q HN 0.585 nan 8.270 nan 0.000 0.423 102 R N 2.037 122.634 120.500 0.161 0.000 2.686 102 R HA 0.547 4.877 4.340 -0.016 0.000 0.286 102 R C -0.938 175.619 176.300 0.428 0.000 0.969 102 R CA -0.859 55.411 56.100 0.284 0.000 0.898 102 R CB 2.438 32.918 30.300 0.301 0.000 1.183 102 R HN 0.501 nan 8.270 nan 0.000 0.456 103 R N 0.968 121.653 120.500 0.308 0.000 2.514 103 R HA 0.361 4.691 4.340 -0.016 0.000 0.301 103 R C -1.099 175.079 176.300 -0.204 0.000 0.962 103 R CA -0.280 55.870 56.100 0.083 0.000 0.882 103 R CB 2.030 32.335 30.300 0.008 0.000 1.143 103 R HN 0.548 nan 8.270 nan 0.000 0.452 104 S N 1.061 116.341 115.700 -0.699 0.000 2.454 104 S HA 0.225 4.685 4.470 -0.016 0.000 0.306 104 S C 0.456 174.736 174.600 -0.532 0.000 1.100 104 S CA -0.551 57.076 58.200 -0.954 0.000 1.087 104 S CB 1.397 63.483 63.200 -1.856 0.000 1.019 104 S HN 0.723 nan 8.310 nan 0.000 0.480 105 T N 0.066 114.395 114.554 -0.375 0.000 3.085 105 T HA 0.218 4.559 4.350 -0.016 0.000 0.264 105 T C 0.056 174.621 174.700 -0.225 0.000 1.019 105 T CA -0.070 61.879 62.100 -0.251 0.000 0.910 105 T CB -0.202 68.562 68.868 -0.173 0.000 1.059 105 T HN 0.620 nan 8.240 nan 0.000 0.542 106 D N 0.375 120.611 120.400 -0.273 0.000 2.720 106 D HA 0.329 4.959 4.640 -0.016 0.000 0.285 106 D C 1.287 177.459 176.300 -0.213 0.000 1.359 106 D CA -0.346 53.532 54.000 -0.204 0.000 0.818 106 D CB -0.288 40.414 40.800 -0.164 0.000 1.108 106 D HN 0.369 nan 8.370 nan 0.000 0.474 107 G N -0.359 108.287 108.800 -0.256 0.000 2.147 107 G HA2 -0.019 3.931 3.960 -0.016 0.000 0.244 107 G HA3 -0.019 3.931 3.960 -0.016 0.000 0.244 107 G C 1.117 175.878 174.900 -0.231 0.000 1.005 107 G CA 0.326 45.298 45.100 -0.213 0.000 0.713 107 G HN 1.475 nan 8.290 nan 0.000 0.515 108 G N -1.543 106.990 108.800 -0.445 0.000 2.179 108 G HA2 -0.232 3.718 3.960 -0.016 0.000 0.220 108 G HA3 -0.232 3.718 3.960 -0.016 0.000 0.220 108 G C 1.235 176.054 174.900 -0.135 0.000 0.990 108 G CA 1.014 45.833 45.100 -0.468 0.000 0.646 108 G HN 0.754 nan 8.290 nan 0.000 0.517 109 R N 0.465 120.865 120.500 -0.167 0.000 2.062 109 R HA 0.076 4.406 4.340 -0.016 0.000 0.229 109 R C 1.549 177.840 176.300 -0.014 0.000 1.128 109 R CA 1.887 57.970 56.100 -0.029 0.000 0.960 109 R CB -0.669 29.603 30.300 -0.046 0.000 0.855 109 R HN 0.793 nan 8.270 nan 0.000 0.432 110 T N -2.786 111.656 114.554 -0.188 0.000 2.916 110 T HA 0.548 4.888 4.350 -0.016 0.000 0.292 110 T C -1.230 173.275 174.700 -0.325 0.000 1.055 110 T CA -0.868 61.187 62.100 -0.076 0.000 1.009 110 T CB 1.953 70.795 68.868 -0.043 0.000 1.118 110 T HN 0.145 nan 8.240 nan 0.000 0.497 111 W N -0.163 121.103 121.300 -0.056 0.000 2.915 111 W HA 0.689 5.339 4.660 -0.017 0.000 0.337 111 W C 0.549 177.049 176.519 -0.031 0.000 1.102 111 W CA -0.649 56.661 57.345 -0.058 0.000 1.224 111 W CB 2.060 31.482 29.460 -0.063 0.000 1.416 111 W HN 1.177 nan 8.180 nan 0.000 0.503 112 G N 0.377 109.283 108.800 0.177 0.000 2.509 112 G HA2 0.327 4.277 3.960 -0.016 0.000 0.269 112 G HA3 0.327 4.277 3.960 -0.016 0.000 0.269 112 G C -0.377 174.602 174.900 0.132 0.000 1.416 112 G CA -0.698 44.467 45.100 0.109 0.000 1.052 112 G HN 0.462 nan 8.290 nan 0.000 0.542 113 E N -0.092 120.164 120.200 0.094 0.000 2.404 113 E HA 0.037 4.378 4.350 -0.016 0.000 0.261 113 E C 0.022 176.685 176.600 0.105 0.000 1.074 113 E CA 0.096 56.550 56.400 0.090 0.000 0.917 113 E CB 0.818 30.559 29.700 0.069 0.000 0.965 113 E HN 0.411 nan 8.360 nan 0.000 0.433 114 Q N 2.394 122.258 119.800 0.106 0.000 2.296 114 Q HA 0.001 4.331 4.340 -0.016 0.000 0.263 114 Q C -0.735 175.319 176.000 0.090 0.000 1.026 114 Q CA 0.295 56.161 55.803 0.106 0.000 0.912 114 Q CB 0.509 29.333 28.738 0.143 0.000 1.198 114 Q HN 0.361 nan 8.270 nan 0.000 0.407 115 Q N 1.819 121.654 119.800 0.058 0.000 2.359 115 Q HA 0.540 4.870 4.340 -0.016 0.000 0.275 115 Q C -1.191 174.814 176.000 0.008 0.000 1.082 115 Q CA -1.050 54.788 55.803 0.058 0.000 0.849 115 Q CB 2.363 31.152 28.738 0.084 0.000 1.377 115 Q HN 0.433 nan 8.270 nan 0.000 0.452 116 V N 1.995 121.920 119.914 0.019 0.000 2.370 116 V HA 0.078 4.189 4.120 -0.016 0.000 0.279 116 V C 0.841 176.889 176.094 -0.075 0.000 1.029 116 V CA -0.103 62.175 62.300 -0.037 0.000 0.870 116 V CB 1.236 33.063 31.823 0.008 0.000 0.984 116 V HN 0.725 nan 8.190 nan 0.000 0.451 117 V N 3.462 123.241 119.914 -0.225 0.000 2.302 117 V HA 0.003 4.114 4.120 -0.016 0.000 0.243 117 V C 0.862 176.788 176.094 -0.279 0.000 1.036 117 V CA 1.315 63.384 62.300 -0.386 0.000 1.020 117 V CB 0.122 31.484 31.823 -0.768 0.000 0.657 117 V HN 0.826 nan 8.190 nan 0.000 0.453 118 S N -0.186 115.275 115.700 -0.398 0.000 2.672 118 S HA 0.741 5.202 4.470 -0.016 0.000 0.291 118 S C -0.393 173.978 174.600 -0.382 0.000 1.145 118 S CA -0.362 57.477 58.200 -0.602 0.000 1.013 118 S CB 1.644 64.276 63.200 -0.946 0.000 1.017 118 S HN 0.478 nan 8.310 nan 0.000 0.487 119 A N 2.692 125.335 122.820 -0.295 0.000 2.269 119 A HA 0.723 5.033 4.320 -0.016 0.000 0.302 119 A C 0.809 178.519 177.584 0.210 0.000 1.266 119 A CA -0.432 51.595 52.037 -0.016 0.000 0.894 119 A CB -0.128 18.862 19.000 -0.016 0.000 1.147 119 A HN 0.901 nan 8.150 nan 0.000 0.537 120 G N 1.269 110.245 108.800 0.293 0.000 2.664 120 G HA2 0.425 4.375 3.960 -0.016 0.000 0.242 120 G HA3 0.425 4.375 3.960 -0.016 0.000 0.242 120 G C -0.206 174.797 174.900 0.173 0.000 1.225 120 G CA -0.254 45.007 45.100 0.268 0.000 0.849 120 G HN 0.777 nan 8.290 nan 0.000 0.581 121 Q N -0.456 119.419 119.800 0.125 0.000 2.347 121 Q HA 0.241 4.571 4.340 -0.016 0.000 0.265 121 Q C 0.756 176.789 176.000 0.055 0.000 1.024 121 Q CA -0.357 55.498 55.803 0.087 0.000 0.731 121 Q CB 1.597 30.390 28.738 0.091 0.000 1.245 121 Q HN 0.723 nan 8.270 nan 0.000 0.472 122 T N -2.658 111.923 114.554 0.045 0.000 3.067 122 T HA -0.024 4.316 4.350 -0.016 0.000 0.257 122 T C 0.989 175.699 174.700 0.016 0.000 1.105 122 T CA 0.359 62.476 62.100 0.028 0.000 1.104 122 T CB -0.037 68.845 68.868 0.023 0.000 0.925 122 T HN 0.548 nan 8.240 nan 0.000 0.498 123 T N 0.790 115.355 114.554 0.019 0.000 2.799 123 T HA 0.742 5.083 4.350 -0.016 0.000 0.286 123 T C 0.233 174.944 174.700 0.017 0.000 0.973 123 T CA -0.705 61.403 62.100 0.014 0.000 1.035 123 T CB 1.363 70.239 68.868 0.012 0.000 0.932 123 T HN 0.421 nan 8.240 nan 0.000 0.469 124 A N 5.148 127.975 122.820 0.012 0.000 2.567 124 A HA 0.411 4.721 4.320 -0.016 0.000 0.240 124 A C -1.202 176.393 177.584 0.018 0.000 1.053 124 A CA -1.019 51.026 52.037 0.012 0.000 0.755 124 A CB -0.847 18.157 19.000 0.006 0.000 0.978 124 A HN 0.834 nan 8.150 nan 0.000 0.507 125 P HA 0.172 nan 4.420 nan 0.000 0.270 125 P C -0.212 177.108 177.300 0.034 0.000 1.242 125 P CA -0.244 62.873 63.100 0.027 0.000 0.768 125 P CB 0.269 31.992 31.700 0.039 0.000 0.820 126 I N 3.445 124.026 120.570 0.017 0.000 2.752 126 I HA 0.041 4.201 4.170 -0.016 0.000 0.287 126 I C 1.111 177.238 176.117 0.016 0.000 1.188 126 I CA 0.516 61.823 61.300 0.011 0.000 1.427 126 I CB -0.265 37.726 38.000 -0.015 0.000 1.365 126 I HN 0.358 nan 8.210 nan 0.000 0.585 127 K N 3.630 124.042 120.400 0.020 0.000 2.468 127 K HA 0.653 4.963 4.320 -0.016 0.000 0.252 127 K C -0.303 176.211 176.600 -0.142 0.000 0.932 127 K CA -0.666 55.613 56.287 -0.013 0.000 0.794 127 K CB 2.597 35.160 32.500 0.105 0.000 1.241 127 K HN 0.826 nan 8.250 nan 0.000 0.428 128 G N 1.883 110.493 108.800 -0.317 0.000 2.542 128 G HA2 0.730 4.680 3.960 -0.016 0.000 0.311 128 G HA3 0.730 4.680 3.960 -0.016 0.000 0.311 128 G C -1.421 173.119 174.900 -0.601 0.000 1.298 128 G CA -0.503 44.411 45.100 -0.310 0.000 0.973 128 G HN 0.329 nan 8.290 nan 0.000 0.487 129 F N 0.715 120.703 119.950 0.064 0.000 2.518 129 F HA 0.746 5.260 4.527 -0.020 0.000 0.323 129 F C 0.393 176.163 175.800 -0.049 0.000 1.129 129 F CA -0.794 57.233 58.000 0.046 0.000 0.920 129 F CB 2.788 41.747 39.000 -0.067 0.000 1.160 129 F HN 0.463 nan 8.300 nan 0.000 0.440 130 S N 1.378 117.167 115.700 0.149 0.000 2.537 130 S HA 0.518 4.978 4.470 -0.016 0.000 0.271 130 S C -1.785 172.865 174.600 0.083 0.000 1.148 130 S CA -0.710 57.518 58.200 0.047 0.000 0.868 130 S CB 1.037 64.237 63.200 -0.001 0.000 1.115 130 S HN 0.678 nan 8.310 nan 0.000 0.461 131 D N 1.677 122.099 120.400 0.038 0.000 3.061 131 D HA -0.074 4.556 4.640 -0.016 0.000 0.252 131 D C -2.697 173.654 176.300 0.084 0.000 1.080 131 D CA 0.581 54.623 54.000 0.069 0.000 0.871 131 D CB -0.475 40.373 40.800 0.079 0.000 1.018 131 D HN 0.296 nan 8.370 nan 0.000 0.425 132 P HA 0.278 nan 4.420 nan 0.000 0.275 132 P C -0.526 176.761 177.300 -0.021 0.000 1.228 132 P CA -0.273 62.812 63.100 -0.025 0.000 0.786 132 P CB 1.748 33.321 31.700 -0.211 0.000 0.927 133 S N 2.054 117.760 115.700 0.010 0.000 2.614 133 S HA 0.472 4.932 4.470 -0.016 0.000 0.288 133 S C -1.236 173.460 174.600 0.159 0.000 1.137 133 S CA -0.561 57.673 58.200 0.057 0.000 0.992 133 S CB 0.303 63.520 63.200 0.028 0.000 1.026 133 S HN 0.251 nan 8.310 nan 0.000 0.486 134 Y N 3.203 123.635 120.300 0.220 0.000 2.307 134 Y HA 0.666 5.207 4.550 -0.016 0.000 0.324 134 Y C 0.194 176.289 175.900 0.325 0.000 1.238 134 Y CA -0.587 57.674 58.100 0.269 0.000 1.280 134 Y CB 1.213 39.803 38.460 0.217 0.000 1.248 134 Y HN 0.571 nan 8.280 nan 0.000 0.508 135 L N 2.609 124.204 121.223 0.619 0.000 2.588 135 L HA 0.481 4.811 4.340 -0.016 0.000 0.263 135 L C -1.934 175.264 176.870 0.546 0.000 0.935 135 L CA -0.669 54.499 54.840 0.547 0.000 0.891 135 L CB 1.499 43.940 42.059 0.637 0.000 1.318 135 L HN 0.349 nan 8.230 nan 0.000 0.409 136 V N 2.985 123.124 119.914 0.374 0.000 2.398 136 V HA 0.310 4.420 4.120 -0.016 0.000 0.286 136 V C -0.356 175.922 176.094 0.306 0.000 1.026 136 V CA -0.547 61.917 62.300 0.274 0.000 0.868 136 V CB 1.657 33.564 31.823 0.140 0.000 0.982 136 V HN 0.627 nan 8.190 nan 0.000 0.443 137 D N 4.612 125.212 120.400 0.334 0.000 2.365 137 D HA 0.173 4.804 4.640 -0.016 0.000 0.237 137 D C 1.116 177.515 176.300 0.165 0.000 1.190 137 D CA -0.293 53.891 54.000 0.308 0.000 0.867 137 D CB 0.853 41.907 40.800 0.424 0.000 1.050 137 D HN 0.401 nan 8.370 nan 0.000 0.491 138 R N 2.821 123.403 120.500 0.137 0.000 2.275 138 R HA -0.001 4.329 4.340 -0.016 0.000 0.199 138 R C 1.203 177.535 176.300 0.053 0.000 0.989 138 R CA 0.381 56.528 56.100 0.077 0.000 1.016 138 R CB 0.401 30.745 30.300 0.074 0.000 0.918 138 R HN 0.571 nan 8.270 nan 0.000 0.473 139 E N 0.171 120.412 120.200 0.068 0.000 2.086 139 E HA -0.080 4.260 4.350 -0.016 0.000 0.190 139 E C 1.613 178.178 176.600 -0.059 0.000 0.975 139 E CA 1.661 58.068 56.400 0.012 0.000 0.813 139 E CB 0.178 29.901 29.700 0.039 0.000 0.768 139 E HN 0.321 nan 8.360 nan 0.000 0.457 140 T N -3.664 110.853 114.554 -0.062 0.000 3.022 140 T HA 0.280 4.620 4.350 -0.016 0.000 0.250 140 T C 1.576 176.245 174.700 -0.053 0.000 1.060 140 T CA 0.433 62.477 62.100 -0.094 0.000 1.013 140 T CB 0.829 69.630 68.868 -0.112 0.000 0.982 140 T HN 0.260 nan 8.240 nan 0.000 0.508 141 G N 1.265 110.050 108.800 -0.025 0.000 2.179 141 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.260 141 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.260 141 G C 0.213 175.061 174.900 -0.087 0.000 0.977 141 G CA 0.311 45.383 45.100 -0.047 0.000 0.641 141 G HN 0.746 nan 8.290 nan 0.000 0.533 142 T N 0.886 115.387 114.554 -0.088 0.000 2.899 142 T HA 0.596 4.936 4.350 -0.016 0.000 0.295 142 T C 0.547 175.045 174.700 -0.336 0.000 1.033 142 T CA 0.358 62.314 62.100 -0.239 0.000 1.084 142 T CB 1.518 70.242 68.868 -0.241 0.000 0.979 142 T HN 0.360 nan 8.240 nan 0.000 0.532 143 I N 1.983 122.249 120.570 -0.507 0.000 2.545 143 I HA 0.486 4.646 4.170 -0.016 0.000 0.292 143 I C -1.073 174.831 176.117 -0.356 0.000 1.040 143 I CA -0.860 60.276 61.300 -0.273 0.000 1.068 143 I CB 1.687 39.644 38.000 -0.073 0.000 1.251 143 I HN 0.476 nan 8.210 nan 0.000 0.424 144 F N 3.762 123.934 119.950 0.369 0.000 2.522 144 F HA 0.463 4.980 4.527 -0.017 0.000 0.324 144 F C 0.278 176.249 175.800 0.285 0.000 1.077 144 F CA -0.761 57.391 58.000 0.253 0.000 0.944 144 F CB 1.411 40.456 39.000 0.075 0.000 1.175 144 F HN 0.352 nan 8.300 nan 0.000 0.468 145 N N 3.027 121.837 118.700 0.183 0.000 2.576 145 N HA 0.280 5.010 4.740 -0.016 0.000 0.269 145 N C -1.583 173.871 175.510 -0.093 0.000 1.058 145 N CA -0.268 52.783 53.050 0.001 0.000 0.860 145 N CB 0.572 38.839 38.487 -0.367 0.000 1.249 145 N HN 0.365 nan 8.380 nan 0.000 0.525 146 F N 3.779 123.707 119.950 -0.037 0.000 2.389 146 F HA 0.370 4.887 4.527 -0.016 0.000 0.337 146 F C 1.198 176.928 175.800 -0.116 0.000 1.112 146 F CA 0.295 58.186 58.000 -0.182 0.000 1.192 146 F CB 0.742 39.622 39.000 -0.200 0.000 1.185 146 F HN 0.417 nan 8.300 nan 0.000 0.552 147 H N -0.802 118.362 119.070 0.157 0.000 3.005 147 H HA 0.406 4.953 4.556 -0.015 0.000 0.311 147 H C -1.395 174.058 175.328 0.208 0.000 1.366 147 H CA -1.350 54.773 56.048 0.125 0.000 1.210 147 H CB 0.274 30.081 29.762 0.074 0.000 1.894 147 H HN 0.560 nan 8.280 nan 0.000 0.520 148 V N -0.020 120.082 119.914 0.313 0.000 2.924 148 V HA 0.287 4.397 4.120 -0.016 0.000 0.305 148 V C -0.496 175.830 176.094 0.386 0.000 1.073 148 V CA -0.439 62.032 62.300 0.284 0.000 1.098 148 V CB 0.615 32.543 31.823 0.175 0.000 1.000 148 V HN 0.702 nan 8.190 nan 0.000 0.484 149 Y N 4.829 125.239 120.300 0.184 0.000 2.334 149 Y HA 0.705 5.244 4.550 -0.018 0.000 0.336 149 Y C 0.126 175.997 175.900 -0.048 0.000 0.960 149 Y CA -0.925 57.189 58.100 0.023 0.000 1.164 149 Y CB 0.960 39.546 38.460 0.209 0.000 1.155 149 Y HN 1.072 nan 8.280 nan 0.000 0.478 150 S N 4.671 120.191 115.700 -0.300 0.000 2.578 150 S HA 0.648 5.108 4.470 -0.016 0.000 0.301 150 S C -0.262 174.068 174.600 -0.450 0.000 1.091 150 S CA -0.589 57.395 58.200 -0.360 0.000 1.032 150 S CB 2.873 65.963 63.200 -0.183 0.000 1.064 150 S HN 0.843 nan 8.310 nan 0.000 0.508 151 Q N 0.446 120.035 119.800 -0.353 0.000 1.915 151 Q HA 0.349 4.679 4.340 -0.016 0.000 0.153 151 Q C 1.874 177.791 176.000 -0.138 0.000 0.480 151 Q CA -0.531 55.135 55.803 -0.229 0.000 0.723 151 Q CB 0.182 28.784 28.738 -0.226 0.000 0.940 151 Q HN 0.662 nan 8.270 nan 0.000 0.357 152 R N 0.021 120.449 120.500 -0.120 0.000 2.140 152 R HA 0.132 4.462 4.340 -0.016 0.000 0.213 152 R C 0.182 176.433 176.300 -0.080 0.000 1.059 152 R CA 0.616 56.667 56.100 -0.081 0.000 1.000 152 R CB 0.513 30.776 30.300 -0.062 0.000 0.910 152 R HN 0.233 nan 8.270 nan 0.000 0.455 153 Q N -0.369 119.371 119.800 -0.100 0.000 2.345 153 Q HA 0.402 4.732 4.340 -0.016 0.000 0.268 153 Q C 0.009 175.960 176.000 -0.081 0.000 1.054 153 Q CA -0.405 55.346 55.803 -0.086 0.000 0.835 153 Q CB 2.028 30.712 28.738 -0.091 0.000 1.339 153 Q HN 0.144 nan 8.270 nan 0.000 0.447 154 G N 0.085 108.854 108.800 -0.053 0.000 2.574 154 G HA2 0.216 4.166 3.960 -0.016 0.000 0.248 154 G HA3 0.216 4.166 3.960 -0.016 0.000 0.248 154 G C 0.115 175.029 174.900 0.023 0.000 1.422 154 G CA -0.313 44.774 45.100 -0.022 0.000 1.051 154 G HN 0.521 nan 8.290 nan 0.000 0.560 155 F N 1.043 120.923 119.950 -0.117 0.000 2.146 155 F HA 0.086 4.602 4.527 -0.017 0.000 0.298 155 F C 2.573 178.332 175.800 -0.068 0.000 1.096 155 F CA 1.854 59.789 58.000 -0.108 0.000 1.275 155 F CB -0.208 38.668 39.000 -0.207 0.000 1.008 155 F HN 0.277 nan 8.300 nan 0.000 0.480 156 A N -0.231 122.507 122.820 -0.137 0.000 1.935 156 A HA 0.169 4.479 4.320 -0.016 0.000 0.214 156 A C 2.376 179.874 177.584 -0.143 0.000 1.178 156 A CA 1.000 52.922 52.037 -0.191 0.000 0.640 156 A CB -1.571 17.424 19.000 -0.008 0.000 0.825 156 A HN 0.441 nan 8.150 nan 0.000 0.447 157 G N -0.438 108.307 108.800 -0.091 0.000 2.534 157 G HA2 0.089 4.039 3.960 -0.016 0.000 0.217 157 G HA3 0.089 4.039 3.960 -0.016 0.000 0.217 157 G C 0.976 175.824 174.900 -0.088 0.000 1.128 157 G CA 0.812 45.867 45.100 -0.074 0.000 0.784 157 G HN 0.543 nan 8.290 nan 0.000 0.542 158 S N 0.227 115.860 115.700 -0.112 0.000 2.552 158 S HA 0.266 4.726 4.470 -0.016 0.000 0.289 158 S C 0.613 175.156 174.600 -0.095 0.000 1.304 158 S CA -0.257 57.877 58.200 -0.110 0.000 1.063 158 S CB 0.425 63.560 63.200 -0.110 0.000 0.848 158 S HN 0.407 nan 8.310 nan 0.000 0.499 159 R N 3.642 124.094 120.500 -0.081 0.000 2.643 159 R HA 0.494 4.824 4.340 -0.016 0.000 0.272 159 R C -2.517 173.757 176.300 -0.042 0.000 0.995 159 R CA -2.209 53.859 56.100 -0.054 0.000 1.032 159 R CB 0.575 30.848 30.300 -0.044 0.000 1.126 159 R HN 0.449 nan 8.270 nan 0.000 0.505 160 P HA 0.175 nan 4.420 nan 0.000 0.270 160 P C -0.528 176.767 177.300 -0.008 0.000 1.223 160 P CA 0.099 63.198 63.100 -0.002 0.000 0.785 160 P CB 0.679 32.383 31.700 0.007 0.000 0.923 161 G N -0.371 108.430 108.800 0.003 0.000 2.348 161 G HA2 0.260 4.210 3.960 -0.016 0.000 0.606 161 G HA3 0.260 4.210 3.960 -0.016 0.000 0.606 161 G C -0.114 174.809 174.900 0.038 0.000 1.466 161 G CA -0.042 45.068 45.100 0.016 0.000 0.950 161 G HN 0.641 nan 8.290 nan 0.000 0.657 162 T N -2.246 112.363 114.554 0.092 0.000 3.087 162 T HA 0.374 4.715 4.350 -0.016 0.000 0.283 162 T C 0.169 175.023 174.700 0.257 0.000 0.956 162 T CA 0.787 62.988 62.100 0.169 0.000 0.894 162 T CB 0.590 69.522 68.868 0.107 0.000 1.160 162 T HN 0.675 nan 8.240 nan 0.000 0.532 163 D N 3.003 123.530 120.400 0.212 0.000 2.371 163 D HA 0.285 4.915 4.640 -0.016 0.000 0.256 163 D C -1.326 175.077 176.300 0.172 0.000 1.193 163 D CA -1.977 52.116 54.000 0.156 0.000 0.881 163 D CB 1.531 42.393 40.800 0.104 0.000 1.143 163 D HN -0.045 nan 8.370 nan 0.000 0.473 164 P HA -0.181 nan 4.420 nan 0.000 0.217 164 P C 0.621 177.853 177.300 -0.113 0.000 1.151 164 P CA 1.235 64.151 63.100 -0.308 0.000 0.849 164 P CB 0.095 31.718 31.700 -0.127 0.000 0.787 165 A N -1.329 121.526 122.820 0.057 0.000 2.208 165 A HA -0.040 4.270 4.320 -0.016 0.000 0.209 165 A C 1.079 178.754 177.584 0.152 0.000 1.161 165 A CA 0.178 52.287 52.037 0.120 0.000 0.782 165 A CB -0.986 18.065 19.000 0.086 0.000 0.816 165 A HN 0.060 nan 8.150 nan 0.000 0.477 166 D N 0.822 121.355 120.400 0.221 0.000 2.401 166 D HA 0.101 4.732 4.640 -0.016 0.000 0.254 166 D C -1.575 174.776 176.300 0.085 0.000 1.192 166 D CA -1.562 52.527 54.000 0.148 0.000 0.885 166 D CB 1.258 42.144 40.800 0.144 0.000 1.147 166 D HN 0.138 nan 8.370 nan 0.000 0.478 167 P HA 0.004 nan 4.420 nan 0.000 0.241 167 P C 0.267 177.516 177.300 -0.084 0.000 1.191 167 P CA 0.404 63.481 63.100 -0.039 0.000 0.771 167 P CB 0.499 32.188 31.700 -0.018 0.000 0.929 168 N N -0.448 118.208 118.700 -0.074 0.000 2.214 168 N HA 0.109 4.839 4.740 -0.016 0.000 0.214 168 N C -0.316 175.116 175.510 -0.131 0.000 1.132 168 N CA 0.021 53.016 53.050 -0.091 0.000 0.856 168 N CB 1.360 39.812 38.487 -0.058 0.000 1.020 168 N HN 0.024 nan 8.380 nan 0.000 0.509 169 V N 1.965 121.757 119.914 -0.204 0.000 2.427 169 V HA 0.231 4.342 4.120 -0.016 0.000 0.286 169 V C 0.126 175.978 176.094 -0.402 0.000 1.034 169 V CA -0.874 61.224 62.300 -0.337 0.000 0.893 169 V CB 2.106 33.611 31.823 -0.531 0.000 0.982 169 V HN 0.067 nan 8.190 nan 0.000 0.452 170 L N 6.461 127.533 121.223 -0.251 0.000 2.433 170 L HA 0.301 4.631 4.340 -0.016 0.000 0.284 170 L C 0.288 177.081 176.870 -0.127 0.000 1.120 170 L CA 0.567 55.316 54.840 -0.151 0.000 0.879 170 L CB -0.498 41.560 42.059 -0.001 0.000 1.232 170 L HN 0.579 nan 8.230 nan 0.000 0.454 171 H N 3.731 122.812 119.070 0.018 0.000 2.562 171 H HA 0.377 4.922 4.556 -0.017 0.000 0.352 171 H C -0.144 175.309 175.328 0.208 0.000 1.125 171 H CA 0.069 56.194 56.048 0.128 0.000 1.379 171 H CB 1.368 31.251 29.762 0.202 0.000 1.464 171 H HN 0.719 nan 8.280 nan 0.000 0.563 172 A N 3.957 126.996 122.820 0.364 0.000 2.310 172 A HA 0.203 4.513 4.320 -0.016 0.000 0.300 172 A C 0.212 177.953 177.584 0.262 0.000 1.269 172 A CA -0.516 51.725 52.037 0.340 0.000 0.909 172 A CB -0.400 18.797 19.000 0.329 0.000 1.144 172 A HN 0.627 nan 8.150 nan 0.000 0.540 173 N N 0.110 118.921 118.700 0.185 0.000 2.459 173 N HA 0.653 5.383 4.740 -0.016 0.000 0.288 173 N C -1.150 174.202 175.510 -0.263 0.000 1.186 173 N CA -0.405 52.648 53.050 0.005 0.000 0.917 173 N CB 2.016 40.558 38.487 0.090 0.000 1.219 173 N HN 0.433 nan 8.380 nan 0.000 0.525 174 V N -0.040 119.677 119.914 -0.328 0.000 2.777 174 V HA 0.790 4.900 4.120 -0.016 0.000 0.306 174 V C -1.362 174.590 176.094 -0.238 0.000 1.112 174 V CA -0.662 61.326 62.300 -0.520 0.000 0.917 174 V CB 1.451 32.739 31.823 -0.891 0.000 1.018 174 V HN 0.790 nan 8.190 nan 0.000 0.426 175 A N 4.314 127.041 122.820 -0.156 0.000 2.290 175 A HA 0.851 5.161 4.320 -0.016 0.000 0.310 175 A C 0.052 177.782 177.584 0.243 0.000 1.202 175 A CA -0.328 51.700 52.037 -0.014 0.000 0.837 175 A CB 0.997 19.917 19.000 -0.133 0.000 1.139 175 A HN 0.903 nan 8.150 nan 0.000 0.509 176 T N 1.615 116.309 114.554 0.233 0.000 2.807 176 T HA 0.565 4.905 4.350 -0.016 0.000 0.279 176 T C -0.248 174.419 174.700 -0.054 0.000 0.993 176 T CA -0.323 61.846 62.100 0.115 0.000 0.970 176 T CB 1.346 70.282 68.868 0.114 0.000 0.950 176 T HN 0.674 nan 8.240 nan 0.000 0.441 177 S N 1.191 116.659 115.700 -0.387 0.000 2.561 177 S HA 0.484 4.944 4.470 -0.016 0.000 0.303 177 S C 0.884 175.195 174.600 -0.482 0.000 1.110 177 S CA -0.650 57.141 58.200 -0.681 0.000 1.034 177 S CB 0.876 63.198 63.200 -1.463 0.000 1.010 177 S HN 0.833 nan 8.310 nan 0.000 0.482 178 T N 0.086 114.428 114.554 -0.354 0.000 3.105 178 T HA 0.216 4.556 4.350 -0.016 0.000 0.253 178 T C -0.024 174.536 174.700 -0.233 0.000 1.047 178 T CA -0.020 61.928 62.100 -0.254 0.000 0.944 178 T CB -0.317 68.451 68.868 -0.167 0.000 1.016 178 T HN 0.610 nan 8.240 nan 0.000 0.544 179 D N 0.295 120.520 120.400 -0.292 0.000 2.891 179 D HA 0.358 4.988 4.640 -0.016 0.000 0.332 179 D C 1.216 177.359 176.300 -0.262 0.000 1.369 179 D CA -0.580 53.278 54.000 -0.237 0.000 0.827 179 D CB -0.295 40.381 40.800 -0.207 0.000 1.141 179 D HN 0.296 nan 8.370 nan 0.000 0.464 180 G N -0.063 108.570 108.800 -0.279 0.000 2.225 180 G HA2 -0.023 3.927 3.960 -0.016 0.000 0.267 180 G HA3 -0.023 3.927 3.960 -0.016 0.000 0.267 180 G C 1.164 175.893 174.900 -0.285 0.000 1.024 180 G CA 0.395 45.347 45.100 -0.246 0.000 0.784 180 G HN 1.508 nan 8.290 nan 0.000 0.507 181 G N -1.814 106.677 108.800 -0.514 0.000 2.157 181 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.239 181 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.239 181 G C 1.235 175.930 174.900 -0.342 0.000 0.982 181 G CA 0.839 45.608 45.100 -0.551 0.000 0.650 181 G HN 1.147 nan 8.290 nan 0.000 0.527 182 L N 0.475 121.494 121.223 -0.339 0.000 2.027 182 L HA 0.181 4.511 4.340 -0.016 0.000 0.206 182 L C 1.892 178.642 176.870 -0.200 0.000 1.074 182 L CA 1.980 56.709 54.840 -0.184 0.000 0.745 182 L CB -0.464 41.504 42.059 -0.153 0.000 0.898 182 L HN 0.639 nan 8.230 nan 0.000 0.433 183 T N -4.590 109.723 114.554 -0.403 0.000 2.883 183 T HA 0.488 4.828 4.350 -0.016 0.000 0.296 183 T C -1.575 172.820 174.700 -0.507 0.000 1.117 183 T CA -0.693 61.250 62.100 -0.261 0.000 1.006 183 T CB 1.883 70.676 68.868 -0.125 0.000 1.191 183 T HN 0.071 nan 8.240 nan 0.000 0.508 184 W N 0.979 122.216 121.300 -0.105 0.000 3.129 184 W HA 0.598 5.248 4.660 -0.017 0.000 0.333 184 W C 0.045 176.377 176.519 -0.312 0.000 1.141 184 W CA -0.725 56.488 57.345 -0.221 0.000 1.224 184 W CB 2.305 31.613 29.460 -0.255 0.000 1.393 184 W HN 1.014 nan 8.180 nan 0.000 0.499 185 S N 0.740 116.371 115.700 -0.115 0.000 2.687 185 S HA 0.715 5.175 4.470 -0.016 0.000 0.283 185 S C -1.055 173.301 174.600 -0.408 0.000 1.170 185 S CA -0.721 57.382 58.200 -0.161 0.000 1.008 185 S CB 1.338 64.520 63.200 -0.029 0.000 1.026 185 S HN 0.518 nan 8.310 nan 0.000 0.541 186 H N 0.035 119.131 119.070 0.044 0.000 2.637 186 H HA 0.742 5.289 4.556 -0.015 0.000 0.363 186 H C -0.020 175.308 175.328 0.000 0.000 1.131 186 H CA -0.857 55.191 56.048 -0.001 0.000 1.183 186 H CB 1.526 31.240 29.762 -0.079 0.000 1.637 186 H HN 0.797 nan 8.280 nan 0.000 0.531 187 R N 0.880 121.435 120.500 0.091 0.000 2.774 187 R HA 0.651 4.981 4.340 -0.016 0.000 0.272 187 R C -1.460 174.871 176.300 0.051 0.000 1.000 187 R CA -0.944 55.196 56.100 0.067 0.000 0.906 187 R CB 1.463 31.810 30.300 0.078 0.000 1.227 187 R HN 0.479 nan 8.270 nan 0.000 0.468 188 T N 2.360 116.946 114.554 0.054 0.000 2.771 188 T HA 0.368 4.708 4.350 -0.016 0.000 0.281 188 T C 0.871 175.618 174.700 0.079 0.000 0.982 188 T CA -0.741 61.401 62.100 0.070 0.000 0.978 188 T CB 0.810 69.683 68.868 0.008 0.000 0.930 188 T HN 0.670 nan 8.240 nan 0.000 0.447 189 I N -0.517 120.115 120.570 0.104 0.000 4.147 189 I HA 0.204 4.364 4.170 -0.016 0.000 0.329 189 I C 1.584 177.766 176.117 0.110 0.000 1.424 189 I CA -0.456 60.907 61.300 0.105 0.000 1.127 189 I CB -0.270 37.781 38.000 0.085 0.000 1.128 189 I HN 0.415 nan 8.210 nan 0.000 0.417 190 T N 2.096 116.748 114.554 0.162 0.000 2.620 190 T HA -0.310 4.030 4.350 -0.016 0.000 0.267 190 T C 2.159 176.928 174.700 0.114 0.000 1.044 190 T CA 2.452 64.659 62.100 0.178 0.000 1.161 190 T CB -0.392 68.685 68.868 0.348 0.000 0.862 190 T HN 0.621 nan 8.240 nan 0.000 0.438 191 A N 2.114 124.997 122.820 0.106 0.000 1.940 191 A HA -0.189 4.121 4.320 -0.016 0.000 0.219 191 A C 2.098 179.704 177.584 0.036 0.000 1.176 191 A CA 1.918 53.993 52.037 0.064 0.000 0.631 191 A CB -0.630 18.404 19.000 0.058 0.000 0.814 191 A HN 0.460 nan 8.150 nan 0.000 0.446 192 D N -0.148 120.282 120.400 0.051 0.000 2.224 192 D HA -0.065 4.565 4.640 -0.016 0.000 0.205 192 D C 1.520 177.829 176.300 0.017 0.000 0.965 192 D CA 1.502 55.528 54.000 0.042 0.000 0.852 192 D CB -0.256 40.600 40.800 0.093 0.000 0.947 192 D HN 0.768 nan 8.370 nan 0.000 0.494 193 I N -2.468 118.109 120.570 0.012 0.000 3.927 193 I HA 0.238 4.398 4.170 -0.016 0.000 0.332 193 I C -0.254 175.892 176.117 0.048 0.000 1.485 193 I CA -0.123 61.168 61.300 -0.015 0.000 1.131 193 I CB 0.501 38.417 38.000 -0.139 0.000 1.092 193 I HN -0.372 nan 8.210 nan 0.000 0.410 194 T N 3.850 118.402 114.554 -0.003 0.000 3.427 194 T HA 0.334 4.674 4.350 -0.016 0.000 0.306 194 T C -1.578 172.958 174.700 -0.273 0.000 1.733 194 T CA -0.721 61.345 62.100 -0.057 0.000 1.599 194 T CB 0.666 69.549 68.868 0.024 0.000 0.964 194 T HN 0.220 nan 8.240 nan 0.000 0.701 195 P HA 0.038 nan 4.420 nan 0.000 0.226 195 P C 0.031 177.045 177.300 -0.476 0.000 1.153 195 P CA 0.775 63.650 63.100 -0.375 0.000 0.777 195 P CB 0.439 31.942 31.700 -0.328 0.000 0.794 196 D N 0.350 120.261 120.400 -0.815 0.000 2.440 196 D HA 0.179 4.809 4.640 -0.016 0.000 0.239 196 D C -1.964 174.032 176.300 -0.507 0.000 1.084 196 D CA -2.244 51.303 54.000 -0.755 0.000 0.843 196 D CB 2.110 42.175 40.800 -1.225 0.000 1.097 196 D HN -0.079 nan 8.370 nan 0.000 0.531 197 P HA 0.078 nan 4.420 nan 0.000 0.242 197 P C 1.235 178.507 177.300 -0.047 0.000 1.197 197 P CA 0.206 63.235 63.100 -0.118 0.000 0.765 197 P CB 0.295 31.949 31.700 -0.076 0.000 0.936 198 G N -0.987 107.783 108.800 -0.049 0.000 2.448 198 G HA2 -0.152 3.798 3.960 -0.016 0.000 0.218 198 G HA3 -0.152 3.798 3.960 -0.016 0.000 0.218 198 G C 0.001 175.047 174.900 0.243 0.000 1.135 198 G CA -0.155 44.994 45.100 0.082 0.000 0.784 198 G HN 0.166 nan 8.290 nan 0.000 0.543 199 W N 2.315 123.609 121.300 -0.010 0.000 2.745 199 W HA 0.357 5.007 4.660 -0.017 0.000 0.370 199 W C 1.453 177.954 176.519 -0.030 0.000 1.274 199 W CA -1.168 56.167 57.345 -0.016 0.000 1.502 199 W CB -0.429 29.023 29.460 -0.014 0.000 1.589 199 W HN 0.326 nan 8.180 nan 0.000 0.482 200 R N 0.665 121.257 120.500 0.154 0.000 2.280 200 R HA 0.251 4.581 4.340 -0.016 0.000 0.195 200 R C 0.515 176.811 176.300 -0.006 0.000 0.935 200 R CA 0.116 56.244 56.100 0.047 0.000 1.033 200 R CB 0.423 30.723 30.300 0.000 0.000 0.964 200 R HN 0.133 nan 8.270 nan 0.000 0.489 201 S N 0.230 115.924 115.700 -0.010 0.000 2.556 201 S HA 0.560 5.020 4.470 -0.016 0.000 0.271 201 S C -1.797 172.881 174.600 0.130 0.000 1.135 201 S CA -0.983 57.204 58.200 -0.022 0.000 0.858 201 S CB 1.492 64.508 63.200 -0.306 0.000 1.114 201 S HN 0.444 nan 8.310 nan 0.000 0.468 202 R N 1.418 122.101 120.500 0.306 0.000 2.663 202 R HA 0.602 4.932 4.340 -0.016 0.000 0.267 202 R C -2.043 174.563 176.300 0.510 0.000 1.038 202 R CA -0.734 55.594 56.100 0.380 0.000 0.886 202 R CB 0.470 30.909 30.300 0.231 0.000 1.249 202 R HN 0.704 nan 8.270 nan 0.000 0.463 203 F N -0.771 119.267 119.950 0.146 0.000 2.608 203 F HA 0.799 5.317 4.527 -0.016 0.000 0.309 203 F C -0.747 174.842 175.800 -0.352 0.000 1.103 203 F CA -1.075 56.902 58.000 -0.039 0.000 0.954 203 F CB 1.646 40.525 39.000 -0.202 0.000 1.267 203 F HN 0.825 nan 8.300 nan 0.000 0.444 204 A N 2.167 124.555 122.820 -0.721 0.000 2.498 204 A HA 0.547 4.857 4.320 -0.016 0.000 0.239 204 A C 0.401 177.656 177.584 -0.548 0.000 1.068 204 A CA 0.015 51.356 52.037 -1.160 0.000 0.766 204 A CB -0.335 18.138 19.000 -0.879 0.000 1.003 204 A HN 1.621 nan 8.150 nan 0.000 0.497 205 A N 3.256 125.738 122.820 -0.564 0.000 2.444 205 A HA 0.493 4.803 4.320 -0.016 0.000 0.273 205 A C 0.967 178.458 177.584 -0.154 0.000 1.136 205 A CA 0.273 52.128 52.037 -0.304 0.000 0.799 205 A CB -0.613 18.208 19.000 -0.299 0.000 1.081 205 A HN 1.838 nan 8.150 nan 0.000 0.509 206 S N 2.569 118.251 115.700 -0.030 0.000 2.560 206 S HA 0.599 5.059 4.470 -0.016 0.000 0.284 206 S C 0.869 175.465 174.600 -0.006 0.000 1.327 206 S CA 0.241 58.450 58.200 0.014 0.000 1.055 206 S CB 1.002 64.267 63.200 0.108 0.000 0.868 206 S HN 2.328 nan 8.310 nan 0.000 0.506 207 G N 1.624 110.444 108.800 0.033 0.000 1.812 207 G HA2 0.138 4.088 3.960 -0.016 0.000 0.053 207 G HA3 0.138 4.088 3.960 -0.016 0.000 0.053 207 G C -1.033 173.944 174.900 0.128 0.000 0.844 207 G CA -0.124 45.018 45.100 0.070 0.000 1.151 207 G HN 0.961 nan 8.290 nan 0.000 0.362 208 E N -0.108 120.163 120.200 0.119 0.000 2.321 208 E HA 0.529 4.869 4.350 -0.016 0.000 0.281 208 E C 0.104 176.781 176.600 0.130 0.000 0.910 208 E CA -0.163 56.344 56.400 0.179 0.000 0.770 208 E CB 1.490 31.316 29.700 0.210 0.000 1.225 208 E HN 0.862 nan 8.360 nan 0.000 0.417 209 G N 2.837 111.731 108.800 0.158 0.000 2.543 209 G HA2 0.619 4.569 3.960 -0.016 0.000 0.290 209 G HA3 0.619 4.569 3.960 -0.016 0.000 0.290 209 G C -0.036 174.966 174.900 0.169 0.000 1.310 209 G CA -0.515 44.663 45.100 0.130 0.000 1.025 209 G HN 0.568 nan 8.290 nan 0.000 0.502 210 I N -3.482 117.184 120.570 0.161 0.000 3.002 210 I HA 0.695 4.855 4.170 -0.016 0.000 0.310 210 I C -0.939 175.282 176.117 0.172 0.000 1.087 210 I CA -1.174 60.218 61.300 0.152 0.000 1.017 210 I CB 2.516 40.585 38.000 0.115 0.000 1.226 210 I HN 0.449 nan 8.210 nan 0.000 0.443 211 Q N 3.370 123.256 119.800 0.144 0.000 2.331 211 Q HA 0.537 4.868 4.340 -0.016 0.000 0.267 211 Q C -1.468 174.570 176.000 0.064 0.000 1.006 211 Q CA -0.823 55.058 55.803 0.130 0.000 0.818 211 Q CB 2.013 30.842 28.738 0.152 0.000 1.276 211 Q HN 0.728 nan 8.270 nan 0.000 0.450 212 L N 3.920 125.174 121.223 0.052 0.000 2.490 212 L HA 0.091 4.421 4.340 -0.016 0.000 0.274 212 L C 1.234 178.081 176.870 -0.039 0.000 1.201 212 L CA 0.018 54.856 54.840 -0.004 0.000 0.869 212 L CB 0.292 42.372 42.059 0.036 0.000 1.123 212 L HN 0.674 nan 8.230 nan 0.000 0.484 213 R N 1.894 122.281 120.500 -0.189 0.000 2.279 213 R HA 0.155 4.485 4.340 -0.016 0.000 0.195 213 R C -0.467 175.795 176.300 -0.063 0.000 0.905 213 R CA 0.369 56.353 56.100 -0.192 0.000 1.044 213 R CB 0.170 30.276 30.300 -0.324 0.000 1.056 213 R HN 0.395 nan 8.270 nan 0.000 0.535 214 Y N 0.234 120.565 120.300 0.051 0.000 2.567 214 Y HA 0.589 5.130 4.550 -0.016 0.000 0.333 214 Y C 1.247 177.152 175.900 0.008 0.000 1.106 214 Y CA -0.903 57.214 58.100 0.029 0.000 1.157 214 Y CB 0.646 39.122 38.460 0.026 0.000 1.277 214 Y HN 0.326 nan 8.280 nan 0.000 0.490 215 G N 1.242 110.140 108.800 0.162 0.000 2.693 215 G HA2 -0.193 3.757 3.960 -0.016 0.000 0.226 215 G HA3 -0.193 3.757 3.960 -0.016 0.000 0.226 215 G C -1.826 173.047 174.900 -0.045 0.000 1.354 215 G CA -0.411 44.707 45.100 0.031 0.000 0.873 215 G HN 0.561 nan 8.290 nan 0.000 0.562 216 P HA 0.015 nan 4.420 nan 0.000 0.223 216 P C 0.633 177.768 177.300 -0.275 0.000 1.151 216 P CA 1.466 64.405 63.100 -0.268 0.000 0.787 216 P CB -0.024 31.425 31.700 -0.418 0.000 0.788 217 H N -0.275 118.798 119.070 0.005 0.000 2.488 217 H HA 0.450 4.996 4.556 -0.016 0.000 0.294 217 H C 0.518 175.851 175.328 0.008 0.000 1.088 217 H CA -1.036 55.008 56.048 -0.008 0.000 1.086 217 H CB -0.423 29.314 29.762 -0.040 0.000 1.569 217 H HN 0.068 nan 8.280 nan 0.000 0.548 218 A N 0.829 123.704 122.820 0.093 0.000 2.553 218 A HA 0.359 4.669 4.320 -0.016 0.000 0.258 218 A C 1.542 179.180 177.584 0.090 0.000 1.069 218 A CA 1.105 53.193 52.037 0.085 0.000 0.767 218 A CB -0.498 18.552 19.000 0.084 0.000 0.997 218 A HN 0.685 nan 8.150 nan 0.000 0.512 219 G N 1.728 110.580 108.800 0.088 0.000 2.192 219 G HA2 -0.194 3.756 3.960 -0.016 0.000 0.193 219 G HA3 -0.194 3.756 3.960 -0.016 0.000 0.193 219 G C 0.411 175.349 174.900 0.062 0.000 0.999 219 G CA 0.153 45.318 45.100 0.109 0.000 0.659 219 G HN 1.099 nan 8.290 nan 0.000 0.503 220 R N 0.734 121.264 120.500 0.051 0.000 2.537 220 R HA 0.505 4.835 4.340 -0.016 0.000 0.280 220 R C -0.045 176.307 176.300 0.087 0.000 1.058 220 R CA -0.138 55.983 56.100 0.035 0.000 1.057 220 R CB 0.098 30.420 30.300 0.037 0.000 0.973 220 R HN 0.237 nan 8.270 nan 0.000 0.438 221 L N 6.446 127.731 121.223 0.104 0.000 2.282 221 L HA 0.455 4.786 4.340 -0.016 0.000 0.288 221 L C -0.324 176.744 176.870 0.329 0.000 1.033 221 L CA -0.668 54.307 54.840 0.226 0.000 0.807 221 L CB 1.497 43.703 42.059 0.245 0.000 1.209 221 L HN 0.590 nan 8.230 nan 0.000 0.423 222 I N 3.269 124.009 120.570 0.283 0.000 2.439 222 I HA 0.288 4.448 4.170 -0.016 0.000 0.285 222 I C -0.599 175.602 176.117 0.140 0.000 1.021 222 I CA -0.573 60.875 61.300 0.247 0.000 1.091 222 I CB 1.973 40.078 38.000 0.174 0.000 1.242 222 I HN 0.514 nan 8.210 nan 0.000 0.439 223 Q N 6.012 125.838 119.800 0.044 0.000 2.348 223 Q HA 0.317 4.647 4.340 -0.016 0.000 0.265 223 Q C -1.012 174.923 176.000 -0.107 0.000 0.998 223 Q CA -0.597 55.066 55.803 -0.232 0.000 0.831 223 Q CB 1.311 29.483 28.738 -0.944 0.000 1.251 223 Q HN 0.372 nan 8.270 nan 0.000 0.456 224 Q N 2.864 122.575 119.800 -0.149 0.000 2.332 224 Q HA 0.220 4.550 4.340 -0.016 0.000 0.263 224 Q C -0.898 174.925 176.000 -0.295 0.000 0.979 224 Q CA 0.409 56.131 55.803 -0.135 0.000 0.885 224 Q CB 0.505 29.151 28.738 -0.154 0.000 1.218 224 Q HN 0.621 nan 8.270 nan 0.000 0.405 225 Y N -0.489 119.622 120.300 -0.314 0.000 2.598 225 Y HA 0.406 4.946 4.550 -0.017 0.000 0.340 225 Y C 0.202 175.798 175.900 -0.507 0.000 1.038 225 Y CA -0.708 57.134 58.100 -0.430 0.000 1.100 225 Y CB 2.087 40.362 38.460 -0.309 0.000 1.281 225 Y HN 0.340 nan 8.280 nan 0.000 0.488 226 T N 3.773 117.971 114.554 -0.592 0.000 2.807 226 T HA 0.660 5.000 4.350 -0.016 0.000 0.279 226 T C -0.733 173.807 174.700 -0.267 0.000 0.993 226 T CA -0.510 61.288 62.100 -0.505 0.000 0.970 226 T CB 0.479 68.905 68.868 -0.737 0.000 0.950 226 T HN 0.452 nan 8.240 nan 0.000 0.441 227 I N 0.012 120.444 120.570 -0.230 0.000 2.910 227 I HA 0.740 4.901 4.170 -0.016 0.000 0.310 227 I C -0.919 175.089 176.117 -0.181 0.000 1.043 227 I CA -1.286 59.881 61.300 -0.221 0.000 1.053 227 I CB 1.326 38.920 38.000 -0.678 0.000 1.242 227 I HN 0.513 nan 8.210 nan 0.000 0.452 228 I N 3.453 123.910 120.570 -0.189 0.000 2.389 228 I HA 0.401 4.561 4.170 -0.016 0.000 0.288 228 I C -0.531 175.556 176.117 -0.050 0.000 0.999 228 I CA -0.664 60.548 61.300 -0.145 0.000 1.129 228 I CB 1.286 39.118 38.000 -0.281 0.000 1.288 228 I HN 0.803 nan 8.210 nan 0.000 0.444 229 N N 5.260 123.972 118.700 0.020 0.000 2.495 229 N HA 0.371 5.101 4.740 -0.016 0.000 0.294 229 N C 0.874 176.470 175.510 0.143 0.000 1.276 229 N CA -0.427 52.717 53.050 0.158 0.000 0.973 229 N CB 0.474 39.062 38.487 0.169 0.000 1.143 229 N HN 0.554 nan 8.380 nan 0.000 0.589 230 A N -0.715 122.201 122.820 0.161 0.000 1.933 230 A HA 0.071 4.381 4.320 -0.016 0.000 0.218 230 A C 2.014 179.642 177.584 0.074 0.000 1.175 230 A CA 2.000 54.097 52.037 0.100 0.000 0.628 230 A CB -1.443 17.610 19.000 0.087 0.000 0.814 230 A HN 0.854 nan 8.150 nan 0.000 0.444 231 A N -1.957 120.911 122.820 0.080 0.000 2.206 231 A HA 0.384 4.694 4.320 -0.016 0.000 0.211 231 A C 1.852 179.474 177.584 0.064 0.000 1.158 231 A CA 1.321 53.395 52.037 0.062 0.000 0.761 231 A CB -0.869 18.166 19.000 0.059 0.000 0.801 231 A HN 1.893 nan 8.150 nan 0.000 0.473 232 G N -2.288 106.560 108.800 0.080 0.000 2.157 232 G HA2 0.103 4.053 3.960 -0.016 0.000 0.239 232 G HA3 0.103 4.053 3.960 -0.016 0.000 0.239 232 G C 0.375 175.365 174.900 0.150 0.000 0.982 232 G CA 0.278 45.436 45.100 0.097 0.000 0.650 232 G HN 1.560 nan 8.290 nan 0.000 0.527 233 A N 0.129 123.032 122.820 0.138 0.000 2.354 233 A HA 0.697 5.007 4.320 -0.016 0.000 0.269 233 A C 0.004 177.799 177.584 0.352 0.000 1.109 233 A CA -0.309 51.827 52.037 0.164 0.000 0.800 233 A CB 0.227 19.281 19.000 0.090 0.000 1.045 233 A HN 0.588 nan 8.150 nan 0.000 0.489 234 F N 1.547 121.511 119.950 0.023 0.000 2.444 234 F HA 0.306 4.823 4.527 -0.016 0.000 0.360 234 F C 0.966 176.752 175.800 -0.024 0.000 1.106 234 F CA -0.162 57.864 58.000 0.044 0.000 1.170 234 F CB 0.410 39.477 39.000 0.111 0.000 1.113 234 F HN 0.557 nan 8.300 nan 0.000 0.521 235 Q N 1.648 121.478 119.800 0.050 0.000 2.351 235 Q HA 0.822 5.152 4.340 -0.016 0.000 0.273 235 Q C -0.703 175.209 176.000 -0.147 0.000 1.077 235 Q CA -1.307 54.458 55.803 -0.064 0.000 0.843 235 Q CB 2.726 31.381 28.738 -0.137 0.000 1.367 235 Q HN 0.661 nan 8.270 nan 0.000 0.449 236 A N 0.957 123.689 122.820 -0.147 0.000 2.295 236 A HA 0.771 5.081 4.320 -0.016 0.000 0.318 236 A C -0.959 176.514 177.584 -0.185 0.000 1.134 236 A CA -0.532 51.391 52.037 -0.190 0.000 0.827 236 A CB 1.449 20.326 19.000 -0.205 0.000 1.136 236 A HN 0.412 nan 8.150 nan 0.000 0.493 237 V N 0.998 120.821 119.914 -0.152 0.000 3.000 237 V HA 0.522 4.632 4.120 -0.016 0.000 0.300 237 V C -0.435 175.695 176.094 0.060 0.000 1.251 237 V CA -0.424 61.850 62.300 -0.044 0.000 0.972 237 V CB 2.513 34.262 31.823 -0.124 0.000 1.065 237 V HN 0.994 nan 8.190 nan 0.000 0.431 238 S N 3.774 119.596 115.700 0.204 0.000 2.499 238 S HA 0.670 5.130 4.470 -0.016 0.000 0.279 238 S C -0.511 174.287 174.600 0.330 0.000 1.219 238 S CA -0.359 58.006 58.200 0.274 0.000 1.062 238 S CB 1.469 64.887 63.200 0.363 0.000 0.978 238 S HN 0.633 nan 8.310 nan 0.000 0.489 239 V N 5.193 125.273 119.914 0.278 0.000 2.417 239 V HA 0.595 4.706 4.120 -0.016 0.000 0.291 239 V C -0.925 175.421 176.094 0.420 0.000 1.024 239 V CA -0.528 61.901 62.300 0.214 0.000 0.861 239 V CB 0.697 32.513 31.823 -0.011 0.000 0.985 239 V HN 0.877 nan 8.190 nan 0.000 0.436 240 Y N 2.059 122.551 120.300 0.320 0.000 2.588 240 Y HA 0.834 5.374 4.550 -0.016 0.000 0.343 240 Y C -0.479 175.459 175.900 0.065 0.000 1.065 240 Y CA -1.124 57.141 58.100 0.274 0.000 1.038 240 Y CB 1.982 40.508 38.460 0.109 0.000 1.297 240 Y HN 0.418 nan 8.280 nan 0.000 0.467 241 S N 0.407 116.019 115.700 -0.146 0.000 2.532 241 S HA 0.389 4.849 4.470 -0.016 0.000 0.299 241 S C -0.940 173.486 174.600 -0.290 0.000 1.105 241 S CA -0.628 57.232 58.200 -0.568 0.000 1.018 241 S CB 1.069 63.388 63.200 -1.468 0.000 1.021 241 S HN 0.788 nan 8.310 nan 0.000 0.483 242 D N 2.332 122.586 120.400 -0.244 0.000 2.395 242 D HA 0.138 4.768 4.640 -0.016 0.000 0.213 242 D C -0.254 175.852 176.300 -0.323 0.000 1.110 242 D CA 0.250 54.126 54.000 -0.205 0.000 0.835 242 D CB 0.507 41.258 40.800 -0.081 0.000 0.965 242 D HN 0.743 nan 8.370 nan 0.000 0.505 243 D N -0.898 119.276 120.400 -0.377 0.000 2.891 243 D HA 0.003 4.633 4.640 -0.016 0.000 0.332 243 D C 0.031 176.183 176.300 -0.247 0.000 1.369 243 D CA -0.601 53.215 54.000 -0.306 0.000 0.827 243 D CB -0.571 40.140 40.800 -0.148 0.000 1.141 243 D HN -0.026 nan 8.370 nan 0.000 0.464 244 H N -0.084 118.918 119.070 -0.114 0.000 2.820 244 H HA -0.141 4.405 4.556 -0.017 0.000 0.295 244 H C 1.398 176.733 175.328 0.012 0.000 1.187 244 H CA 1.137 57.182 56.048 -0.005 0.000 1.144 244 H CB -1.637 28.171 29.762 0.076 0.000 1.354 244 H HN 0.726 nan 8.280 nan 0.000 0.395 245 G N -0.647 107.941 108.800 -0.354 0.000 2.176 245 G HA2 -0.364 3.586 3.960 -0.016 0.000 0.232 245 G HA3 -0.364 3.586 3.960 -0.016 0.000 0.232 245 G C 1.347 176.120 174.900 -0.213 0.000 0.986 245 G CA 0.495 45.293 45.100 -0.504 0.000 0.643 245 G HN 0.523 nan 8.290 nan 0.000 0.522 246 R N 0.529 120.944 120.500 -0.141 0.000 2.081 246 R HA 0.105 4.435 4.340 -0.016 0.000 0.235 246 R C 1.424 177.659 176.300 -0.109 0.000 1.131 246 R CA 1.753 57.827 56.100 -0.042 0.000 0.960 246 R CB -0.314 29.982 30.300 -0.007 0.000 0.856 246 R HN 0.665 nan 8.270 nan 0.000 0.436 247 T N -2.509 111.856 114.554 -0.314 0.000 2.876 247 T HA 0.487 4.828 4.350 -0.016 0.000 0.289 247 T C -1.187 173.200 174.700 -0.521 0.000 1.014 247 T CA -0.910 61.041 62.100 -0.248 0.000 0.986 247 T CB 1.513 70.294 68.868 -0.145 0.000 1.021 247 T HN 0.157 nan 8.240 nan 0.000 0.458 248 W N 1.905 123.167 121.300 -0.062 0.000 2.736 248 W HA 0.711 5.362 4.660 -0.015 0.000 0.335 248 W C 0.238 176.662 176.519 -0.160 0.000 1.059 248 W CA -0.948 56.339 57.345 -0.097 0.000 1.226 248 W CB 1.943 31.395 29.460 -0.014 0.000 1.416 248 W HN 1.021 nan 8.180 nan 0.000 0.505 249 R N 1.323 121.772 120.500 -0.085 0.000 2.837 249 R HA 0.961 5.291 4.340 -0.016 0.000 0.271 249 R C -1.000 175.152 176.300 -0.247 0.000 0.993 249 R CA -1.187 54.798 56.100 -0.192 0.000 0.931 249 R CB 1.418 31.544 30.300 -0.290 0.000 1.206 249 R HN 0.447 nan 8.270 nan 0.000 0.474 250 A N 1.184 123.945 122.820 -0.100 0.000 2.331 250 A HA 0.616 4.926 4.320 -0.016 0.000 0.283 250 A C 0.407 178.062 177.584 0.119 0.000 1.142 250 A CA -0.074 51.988 52.037 0.041 0.000 0.812 250 A CB 0.793 19.920 19.000 0.211 0.000 1.074 250 A HN 0.880 nan 8.150 nan 0.000 0.497 251 G N 0.488 109.470 108.800 0.304 0.000 2.504 251 G HA2 0.443 4.393 3.960 -0.016 0.000 0.257 251 G HA3 0.443 4.393 3.960 -0.016 0.000 0.257 251 G C -0.217 174.762 174.900 0.133 0.000 1.451 251 G CA -0.567 44.713 45.100 0.300 0.000 1.059 251 G HN 0.788 nan 8.290 nan 0.000 0.550 252 E N 0.057 120.216 120.200 -0.068 0.000 2.259 252 E HA 0.458 4.798 4.350 -0.016 0.000 0.281 252 E C 0.341 177.024 176.600 0.139 0.000 1.027 252 E CA -0.463 55.959 56.400 0.037 0.000 0.838 252 E CB 1.462 31.107 29.700 -0.091 0.000 1.066 252 E HN 0.536 nan 8.360 nan 0.000 0.401 253 A N 2.749 125.688 122.820 0.197 0.000 2.386 253 A HA 0.369 4.680 4.320 -0.016 0.000 0.246 253 A C -0.276 177.341 177.584 0.056 0.000 1.089 253 A CA -0.324 51.745 52.037 0.054 0.000 0.790 253 A CB 0.877 19.836 19.000 -0.068 0.000 1.042 253 A HN 0.404 nan 8.150 nan 0.000 0.497 254 V N 0.124 120.036 119.914 -0.003 0.000 3.048 254 V HA 0.684 4.794 4.120 -0.016 0.000 0.303 254 V C 0.183 176.268 176.094 -0.016 0.000 1.214 254 V CA 0.982 63.293 62.300 0.019 0.000 0.984 254 V CB 1.500 33.358 31.823 0.058 0.000 1.054 254 V HN 2.807 nan 8.190 nan 0.000 0.430 255 G N 3.342 112.147 108.800 0.008 0.000 2.829 255 G HA2 0.280 4.231 3.960 -0.016 0.000 0.628 255 G HA3 0.280 4.231 3.960 -0.016 0.000 0.628 255 G C -0.698 174.212 174.900 0.018 0.000 1.412 255 G CA 0.244 45.348 45.100 0.006 0.000 0.864 255 G HN 2.113 nan 8.290 nan 0.000 0.544 256 V N -3.080 116.848 119.914 0.023 0.000 3.160 256 V HA 0.967 5.077 4.120 -0.016 0.000 0.310 256 V C 1.499 177.609 176.094 0.028 0.000 1.181 256 V CA 0.238 62.558 62.300 0.034 0.000 1.047 256 V CB 1.107 32.943 31.823 0.021 0.000 1.068 256 V HN 3.077 nan 8.190 nan 0.000 0.441 257 G N 1.315 110.125 108.800 0.016 0.000 2.321 257 G HA2 -0.173 3.777 3.960 -0.016 0.000 0.287 257 G HA3 -0.173 3.777 3.960 -0.016 0.000 0.287 257 G C 0.020 174.952 174.900 0.053 0.000 1.018 257 G CA 0.968 46.064 45.100 -0.007 0.000 0.855 257 G HN 0.764 nan 8.290 nan 0.000 0.507 258 M N -0.717 118.955 119.600 0.120 0.000 2.363 258 M HA 0.719 5.189 4.480 -0.016 0.000 0.280 258 M C 0.555 176.988 176.300 0.222 0.000 1.182 258 M CA -0.629 54.737 55.300 0.110 0.000 0.974 258 M CB 0.935 33.558 32.600 0.040 0.000 1.452 258 M HN 0.300 nan 8.290 nan 0.000 0.507 259 D N -1.315 119.150 120.400 0.108 0.000 3.235 259 D HA 0.333 4.963 4.640 -0.016 0.000 0.360 259 D C -1.514 174.747 176.300 -0.064 0.000 1.465 259 D CA -0.343 53.728 54.000 0.118 0.000 0.874 259 D CB 0.797 41.724 40.800 0.212 0.000 1.465 259 D HN 0.628 nan 8.370 nan 0.000 0.533 260 A N 1.109 123.905 122.820 -0.041 0.000 2.591 260 A HA 0.300 4.610 4.320 -0.016 0.000 0.244 260 A C 0.294 177.790 177.584 -0.146 0.000 1.031 260 A CA 0.695 52.644 52.037 -0.147 0.000 0.767 260 A CB -0.662 18.305 19.000 -0.054 0.000 0.942 260 A HN 0.434 nan 8.150 nan 0.000 0.514 261 N N 1.919 120.506 118.700 -0.188 0.000 2.416 261 N HA 0.582 5.312 4.740 -0.016 0.000 0.276 261 N C -1.535 173.901 175.510 -0.125 0.000 1.261 261 N CA -0.932 52.035 53.050 -0.137 0.000 0.790 261 N CB 1.549 39.944 38.487 -0.153 0.000 1.554 261 N HN 0.368 nan 8.380 nan 0.000 0.481 262 K N 0.422 120.782 120.400 -0.067 0.000 2.395 262 K HA 0.570 4.881 4.320 -0.016 0.000 0.247 262 K C -0.424 176.181 176.600 0.007 0.000 0.973 262 K CA -0.436 55.834 56.287 -0.028 0.000 0.828 262 K CB 1.983 34.489 32.500 0.009 0.000 1.272 262 K HN 0.854 nan 8.250 nan 0.000 0.439 263 T N -2.752 111.825 114.554 0.039 0.000 2.924 263 T HA 0.717 5.057 4.350 -0.016 0.000 0.291 263 T C -0.660 174.107 174.700 0.112 0.000 1.045 263 T CA -0.915 61.237 62.100 0.088 0.000 1.015 263 T CB 1.713 70.650 68.868 0.115 0.000 1.103 263 T HN 0.274 nan 8.240 nan 0.000 0.496 264 V N 0.469 120.462 119.914 0.131 0.000 2.932 264 V HA 0.511 4.621 4.120 -0.016 0.000 0.307 264 V C -0.941 175.225 176.094 0.119 0.000 1.147 264 V CA -0.857 61.518 62.300 0.126 0.000 0.951 264 V CB 1.945 33.856 31.823 0.146 0.000 1.031 264 V HN 1.156 nan 8.190 nan 0.000 0.426 265 E N 5.042 125.296 120.200 0.091 0.000 2.316 265 E HA 0.415 4.755 4.350 -0.016 0.000 0.275 265 E C -0.799 175.871 176.600 0.117 0.000 1.029 265 E CA -0.343 56.105 56.400 0.081 0.000 0.871 265 E CB 0.934 30.632 29.700 -0.004 0.000 1.022 265 E HN 0.647 nan 8.360 nan 0.000 0.418 266 L N 2.711 124.024 121.223 0.150 0.000 2.469 266 L HA 0.113 4.443 4.340 -0.016 0.000 0.253 266 L C 1.920 178.932 176.870 0.237 0.000 1.143 266 L CA -0.210 54.724 54.840 0.156 0.000 0.804 266 L CB 1.117 43.246 42.059 0.116 0.000 1.214 266 L HN 0.739 nan 8.230 nan 0.000 0.476 267 S N -0.478 115.335 115.700 0.189 0.000 2.420 267 S HA -0.202 4.259 4.470 -0.016 0.000 0.237 267 S C 0.997 175.641 174.600 0.073 0.000 1.023 267 S CA 1.450 59.757 58.200 0.178 0.000 0.991 267 S CB -0.440 62.807 63.200 0.079 0.000 0.792 267 S HN 0.845 nan 8.310 nan 0.000 0.488 268 D N -0.276 120.170 120.400 0.077 0.000 2.340 268 D HA 0.287 4.917 4.640 -0.016 0.000 0.217 268 D C 1.383 177.736 176.300 0.088 0.000 1.081 268 D CA 0.508 54.518 54.000 0.018 0.000 0.842 268 D CB -0.446 40.361 40.800 0.013 0.000 0.934 268 D HN 0.610 nan 8.370 nan 0.000 0.511 269 G N 0.568 109.519 108.800 0.251 0.000 2.176 269 G HA2 -0.325 3.625 3.960 -0.016 0.000 0.253 269 G HA3 -0.325 3.625 3.960 -0.016 0.000 0.253 269 G C 0.381 175.370 174.900 0.149 0.000 0.979 269 G CA -0.078 45.196 45.100 0.290 0.000 0.641 269 G HN 0.445 nan 8.290 nan 0.000 0.530 270 R N -0.279 120.289 120.500 0.113 0.000 2.694 270 R HA 0.443 4.773 4.340 -0.016 0.000 0.268 270 R C 0.113 176.471 176.300 0.097 0.000 1.061 270 R CA -0.032 56.115 56.100 0.079 0.000 1.133 270 R CB 0.978 31.319 30.300 0.068 0.000 1.020 270 R HN 0.090 nan 8.270 nan 0.000 0.475 271 V N 4.585 124.550 119.914 0.085 0.000 2.370 271 V HA 0.192 4.302 4.120 -0.016 0.000 0.283 271 V C -0.435 175.785 176.094 0.210 0.000 1.023 271 V CA -0.743 61.638 62.300 0.134 0.000 0.857 271 V CB 1.349 33.244 31.823 0.120 0.000 0.985 271 V HN 0.445 nan 8.190 nan 0.000 0.443 272 L N 6.359 127.696 121.223 0.191 0.000 2.289 272 L HA 0.616 4.947 4.340 -0.016 0.000 0.285 272 L C -0.654 176.319 176.870 0.172 0.000 1.049 272 L CA 0.046 54.999 54.840 0.188 0.000 0.804 272 L CB 1.244 43.396 42.059 0.155 0.000 1.195 272 L HN 0.663 nan 8.230 nan 0.000 0.428 273 L N 5.990 127.285 121.223 0.119 0.000 2.296 273 L HA 0.555 4.886 4.340 -0.016 0.000 0.286 273 L C -0.957 175.902 176.870 -0.017 0.000 1.023 273 L CA -0.184 54.631 54.840 -0.042 0.000 0.812 273 L CB 0.921 42.746 42.059 -0.391 0.000 1.223 273 L HN 0.765 nan 8.230 nan 0.000 0.421 274 N N 3.294 121.993 118.700 -0.001 0.000 2.461 274 N HA 0.310 5.040 4.740 -0.016 0.000 0.284 274 N C -1.902 173.617 175.510 0.015 0.000 1.049 274 N CA -0.142 52.931 53.050 0.038 0.000 0.889 274 N CB 2.038 40.600 38.487 0.124 0.000 1.365 274 N HN 0.585 nan 8.380 nan 0.000 0.499 275 S N 2.372 118.072 115.700 0.001 0.000 2.536 275 S HA 0.445 4.905 4.470 -0.016 0.000 0.298 275 S C -0.295 174.311 174.600 0.009 0.000 1.083 275 S CA -0.793 57.396 58.200 -0.019 0.000 0.995 275 S CB 1.535 64.704 63.200 -0.051 0.000 1.058 275 S HN 0.637 nan 8.310 nan 0.000 0.488 276 R N 1.835 122.333 120.500 -0.003 0.000 2.623 276 R HA 0.086 4.416 4.340 -0.016 0.000 0.271 276 R C -1.006 175.314 176.300 0.033 0.000 1.043 276 R CA 0.098 56.207 56.100 0.014 0.000 1.083 276 R CB 0.262 30.565 30.300 0.004 0.000 0.974 276 R HN 0.603 nan 8.270 nan 0.000 0.436 277 D N 1.983 122.405 120.400 0.037 0.000 2.454 277 D HA 0.068 4.698 4.640 -0.016 0.000 0.225 277 D C 0.637 176.958 176.300 0.036 0.000 1.081 277 D CA -0.264 53.758 54.000 0.036 0.000 0.864 277 D CB 1.312 42.132 40.800 0.033 0.000 1.040 277 D HN 0.556 nan 8.370 nan 0.000 0.517 278 S N 2.263 117.993 115.700 0.050 0.000 2.481 278 S HA -0.067 4.393 4.470 -0.016 0.000 0.231 278 S C 1.754 176.330 174.600 -0.040 0.000 0.996 278 S CA 0.460 58.672 58.200 0.019 0.000 0.942 278 S CB 0.048 63.253 63.200 0.009 0.000 0.768 278 S HN 0.393 nan 8.310 nan 0.000 0.520 279 A N 1.588 124.394 122.820 -0.025 0.000 2.238 279 A HA 0.287 4.597 4.320 -0.016 0.000 0.208 279 A C 0.921 178.506 177.584 0.002 0.000 1.177 279 A CA -0.162 51.865 52.037 -0.017 0.000 0.804 279 A CB -0.548 18.446 19.000 -0.011 0.000 0.823 279 A HN 0.511 nan 8.150 nan 0.000 0.482 280 R N -0.627 119.871 120.500 -0.002 0.000 3.261 280 R HA -0.161 4.169 4.340 -0.016 0.000 0.257 280 R C 1.070 177.355 176.300 -0.025 0.000 1.014 280 R CA 0.592 56.683 56.100 -0.015 0.000 0.681 280 R CB -2.779 27.508 30.300 -0.021 0.000 1.155 280 R HN 0.793 nan 8.270 nan 0.000 0.424 281 S N -0.623 115.072 115.700 -0.008 0.000 2.447 281 S HA -0.009 4.451 4.470 -0.016 0.000 0.233 281 S C 1.647 176.158 174.600 -0.149 0.000 1.006 281 S CA 1.004 59.207 58.200 0.004 0.000 0.957 281 S CB 0.382 63.649 63.200 0.112 0.000 0.773 281 S HN 1.188 nan 8.310 nan 0.000 0.507 282 G N -0.636 108.028 108.800 -0.227 0.000 2.157 282 G HA2 -0.204 3.746 3.960 -0.016 0.000 0.248 282 G HA3 -0.204 3.746 3.960 -0.016 0.000 0.248 282 G C -0.134 174.345 174.900 -0.702 0.000 0.979 282 G CA 0.431 45.245 45.100 -0.475 0.000 0.650 282 G HN 0.579 nan 8.290 nan 0.000 0.529 283 Y N -0.807 119.477 120.300 -0.027 0.000 2.705 283 Y HA 0.797 5.338 4.550 -0.016 0.000 0.332 283 Y C 0.627 176.509 175.900 -0.030 0.000 1.157 283 Y CA -1.500 56.576 58.100 -0.040 0.000 1.091 283 Y CB 0.707 39.138 38.460 -0.049 0.000 1.301 283 Y HN 0.021 nan 8.280 nan 0.000 0.488 284 R N 1.089 121.675 120.500 0.144 0.000 2.500 284 R HA 0.421 4.751 4.340 -0.016 0.000 0.275 284 R C -0.931 175.399 176.300 0.049 0.000 1.051 284 R CA -0.763 55.377 56.100 0.067 0.000 1.088 284 R CB 0.779 31.087 30.300 0.013 0.000 1.063 284 R HN 0.629 nan 8.270 nan 0.000 0.511 285 K N 0.867 121.285 120.400 0.030 0.000 2.123 285 K HA 0.474 4.784 4.320 -0.016 0.000 0.259 285 K C -0.226 176.374 176.600 0.000 0.000 0.960 285 K CA -0.772 55.523 56.287 0.014 0.000 0.872 285 K CB 1.804 34.310 32.500 0.009 0.000 1.079 285 K HN 0.435 nan 8.250 nan 0.000 0.440 286 V N -1.927 117.989 119.914 0.002 0.000 2.962 286 V HA 0.966 5.077 4.120 -0.016 0.000 0.313 286 V C -1.060 175.046 176.094 0.019 0.000 1.099 286 V CA -0.851 61.456 62.300 0.011 0.000 0.971 286 V CB 1.618 33.461 31.823 0.033 0.000 1.028 286 V HN 0.919 nan 8.190 nan 0.000 0.430 287 A N 2.150 124.990 122.820 0.034 0.000 2.609 287 A HA 0.995 5.305 4.320 -0.016 0.000 0.291 287 A C -0.843 176.862 177.584 0.201 0.000 1.096 287 A CA -0.147 51.950 52.037 0.100 0.000 0.684 287 A CB 1.901 20.954 19.000 0.088 0.000 1.282 287 A HN 2.552 nan 8.150 nan 0.000 0.412 288 V N -0.720 119.349 119.914 0.259 0.000 2.876 288 V HA 0.907 5.017 4.120 -0.016 0.000 0.312 288 V C -0.422 175.791 176.094 0.198 0.000 1.085 288 V CA 0.071 62.538 62.300 0.278 0.000 0.945 288 V CB 1.756 33.668 31.823 0.148 0.000 1.017 288 V HN 1.645 nan 8.190 nan 0.000 0.428 289 S N 2.138 117.839 115.700 0.001 0.000 2.475 289 S HA 0.596 5.056 4.470 -0.016 0.000 0.298 289 S C 0.813 175.337 174.600 -0.127 0.000 1.119 289 S CA 0.167 58.170 58.200 -0.329 0.000 1.085 289 S CB 1.543 64.180 63.200 -0.938 0.000 1.028 289 S HN 1.393 nan 8.310 nan 0.000 0.489 290 T N 0.012 114.510 114.554 -0.093 0.000 3.069 290 T HA 0.182 4.522 4.350 -0.016 0.000 0.252 290 T C 0.076 174.762 174.700 -0.023 0.000 1.053 290 T CA 0.007 62.087 62.100 -0.034 0.000 0.964 290 T CB -0.297 68.565 68.868 -0.009 0.000 1.005 290 T HN 0.657 nan 8.240 nan 0.000 0.532 291 D N 0.469 120.839 120.400 -0.051 0.000 2.788 291 D HA 0.370 5.001 4.640 -0.016 0.000 0.289 291 D C 1.266 177.564 176.300 -0.002 0.000 1.340 291 D CA -0.475 53.532 54.000 0.012 0.000 0.831 291 D CB -0.318 40.502 40.800 0.033 0.000 1.103 291 D HN 0.337 nan 8.370 nan 0.000 0.476 292 G N -0.445 108.341 108.800 -0.023 0.000 2.137 292 G HA2 -0.023 3.927 3.960 -0.016 0.000 0.237 292 G HA3 -0.023 3.927 3.960 -0.016 0.000 0.237 292 G C 1.156 175.919 174.900 -0.229 0.000 1.002 292 G CA 0.296 45.370 45.100 -0.043 0.000 0.702 292 G HN 1.435 nan 8.290 nan 0.000 0.515 293 G N -1.476 107.152 108.800 -0.287 0.000 2.195 293 G HA2 -0.250 3.700 3.960 -0.016 0.000 0.246 293 G HA3 -0.250 3.700 3.960 -0.016 0.000 0.246 293 G C 0.831 175.543 174.900 -0.313 0.000 0.984 293 G CA 1.597 46.507 45.100 -0.316 0.000 0.633 293 G HN 1.876 nan 8.290 nan 0.000 0.525 294 H N 1.665 120.485 119.070 -0.417 0.000 2.290 294 H HA 0.185 4.731 4.556 -0.016 0.000 0.298 294 H C 1.781 177.073 175.328 -0.059 0.000 1.087 294 H CA 2.969 58.910 56.048 -0.179 0.000 1.291 294 H CB -0.019 29.660 29.762 -0.138 0.000 1.369 294 H HN 0.886 nan 8.280 nan 0.000 0.492 295 S N -1.913 113.628 115.700 -0.265 0.000 2.632 295 S HA 0.489 4.949 4.470 -0.016 0.000 0.289 295 S C -1.368 172.962 174.600 -0.450 0.000 1.115 295 S CA -1.010 57.048 58.200 -0.237 0.000 0.889 295 S CB 1.791 64.931 63.200 -0.100 0.000 1.116 295 S HN 0.255 nan 8.310 nan 0.000 0.486 296 Y N -0.205 120.096 120.300 0.002 0.000 2.549 296 Y HA 0.709 5.249 4.550 -0.016 0.000 0.339 296 Y C 1.212 177.125 175.900 0.021 0.000 1.053 296 Y CA -0.343 57.766 58.100 0.016 0.000 1.105 296 Y CB 1.447 39.914 38.460 0.011 0.000 1.258 296 Y HN 1.062 nan 8.280 nan 0.000 0.478 297 G N 0.871 109.766 108.800 0.158 0.000 2.508 297 G HA2 0.383 4.333 3.960 -0.016 0.000 0.278 297 G HA3 0.383 4.333 3.960 -0.016 0.000 0.278 297 G C -2.467 172.499 174.900 0.109 0.000 1.389 297 G CA -1.344 43.819 45.100 0.105 0.000 1.050 297 G HN 0.405 nan 8.290 nan 0.000 0.522 298 P HA 0.081 nan 4.420 nan 0.000 0.267 298 P C -0.480 176.852 177.300 0.054 0.000 1.201 298 P CA -0.108 63.026 63.100 0.057 0.000 0.775 298 P CB 0.731 32.455 31.700 0.040 0.000 0.854 299 V N 2.680 122.616 119.914 0.037 0.000 2.383 299 V HA 0.299 4.409 4.120 -0.016 0.000 0.275 299 V C 0.922 177.026 176.094 0.018 0.000 1.036 299 V CA 0.024 62.337 62.300 0.022 0.000 0.889 299 V CB 0.771 32.599 31.823 0.008 0.000 0.985 299 V HN 0.805 nan 8.190 nan 0.000 0.459 300 T N 2.722 117.285 114.554 0.015 0.000 2.942 300 T HA 0.749 5.089 4.350 -0.016 0.000 0.289 300 T C -0.522 174.179 174.700 0.002 0.000 1.044 300 T CA -0.815 61.289 62.100 0.007 0.000 1.023 300 T CB 1.788 70.658 68.868 0.004 0.000 1.123 300 T HN 0.152 nan 8.240 nan 0.000 0.512 301 I N 2.159 122.725 120.570 -0.007 0.000 2.441 301 I HA 0.265 4.425 4.170 -0.016 0.000 0.287 301 I C 0.202 176.273 176.117 -0.077 0.000 1.049 301 I CA -0.025 61.267 61.300 -0.014 0.000 1.381 301 I CB 0.826 38.833 38.000 0.012 0.000 1.409 301 I HN 0.670 nan 8.210 nan 0.000 0.523 302 D N 6.552 126.901 120.400 -0.085 0.000 2.485 302 D HA 0.196 4.827 4.640 -0.016 0.000 0.229 302 D C 0.847 176.984 176.300 -0.272 0.000 1.101 302 D CA -0.353 53.568 54.000 -0.131 0.000 0.906 302 D CB 0.526 41.274 40.800 -0.087 0.000 1.019 302 D HN 0.426 nan 8.370 nan 0.000 0.516 303 R N 1.625 121.846 120.500 -0.466 0.000 2.339 303 R HA 0.003 4.334 4.340 -0.016 0.000 0.199 303 R C 0.459 176.501 176.300 -0.430 0.000 1.018 303 R CA 0.237 55.776 56.100 -0.935 0.000 1.036 303 R CB 0.405 30.183 30.300 -0.871 0.000 0.899 303 R HN 0.239 nan 8.270 nan 0.000 0.473 304 D N 0.961 121.226 120.400 -0.225 0.000 2.312 304 D HA -0.021 4.609 4.640 -0.016 0.000 0.211 304 D C 0.450 176.632 176.300 -0.196 0.000 0.964 304 D CA 0.964 54.891 54.000 -0.122 0.000 0.877 304 D CB 0.290 41.104 40.800 0.023 0.000 0.924 304 D HN 0.218 nan 8.370 nan 0.000 0.515 305 L N 2.385 123.486 121.223 -0.203 0.000 2.502 305 L HA 0.287 4.617 4.340 -0.016 0.000 0.247 305 L C -2.442 174.479 176.870 0.084 0.000 1.180 305 L CA -1.774 52.924 54.840 -0.235 0.000 0.956 305 L CB 1.603 43.326 42.059 -0.560 0.000 1.282 305 L HN -0.315 nan 8.230 nan 0.000 0.470 306 P HA 0.088 nan 4.420 nan 0.000 0.267 306 P C -1.004 176.302 177.300 0.011 0.000 1.200 306 P CA 0.216 63.371 63.100 0.092 0.000 0.772 306 P CB 1.260 32.973 31.700 0.022 0.000 0.855 307 D N 1.842 122.200 120.400 -0.071 0.000 2.836 307 D HA 0.235 4.866 4.640 -0.016 0.000 0.215 307 D C -2.473 173.779 176.300 -0.079 0.000 1.255 307 D CA -1.522 52.461 54.000 -0.028 0.000 0.822 307 D CB 1.512 42.334 40.800 0.036 0.000 1.656 307 D HN 0.094 nan 8.370 nan 0.000 0.511 308 P HA 0.210 nan 4.420 nan 0.000 0.249 308 P C -0.983 176.300 177.300 -0.029 0.000 1.583 308 P CA 0.018 63.082 63.100 -0.060 0.000 0.988 308 P CB 0.099 31.769 31.700 -0.050 0.000 1.530 309 T N -0.782 113.763 114.554 -0.014 0.000 3.069 309 T HA -0.142 4.198 4.350 -0.016 0.000 0.450 309 T C -0.466 174.258 174.700 0.041 0.000 0.775 309 T CA 0.490 62.597 62.100 0.012 0.000 2.370 309 T CB -2.054 66.819 68.868 0.009 0.000 1.690 309 T HN 0.522 nan 8.240 nan 0.000 0.649 310 N N 0.927 119.647 118.700 0.033 0.000 2.859 310 N HA 0.419 5.149 4.740 -0.016 0.000 0.250 310 N C -0.981 174.480 175.510 -0.081 0.000 1.341 310 N CA -0.709 52.372 53.050 0.052 0.000 0.881 310 N CB 1.082 39.614 38.487 0.075 0.000 1.516 310 N HN 0.201 nan 8.380 nan 0.000 0.503 311 N N 0.413 118.924 118.700 -0.315 0.000 2.326 311 N HA 0.676 5.406 4.740 -0.016 0.000 0.239 311 N C -0.995 174.335 175.510 -0.299 0.000 1.301 311 N CA 0.588 53.322 53.050 -0.527 0.000 0.909 311 N CB 0.742 38.453 38.487 -1.292 0.000 1.156 311 N HN 0.717 nan 8.380 nan 0.000 0.462 312 A N -0.547 122.106 122.820 -0.278 0.000 2.544 312 A HA 0.550 4.861 4.320 -0.016 0.000 0.291 312 A C -1.175 176.248 177.584 -0.268 0.000 1.055 312 A CA -0.498 51.350 52.037 -0.315 0.000 0.651 312 A CB 0.321 19.082 19.000 -0.397 0.000 1.296 312 A HN 0.735 nan 8.150 nan 0.000 0.431 313 S N -0.376 115.119 115.700 -0.343 0.000 2.599 313 S HA 0.860 5.320 4.470 -0.016 0.000 0.287 313 S C -0.931 173.614 174.600 -0.091 0.000 1.105 313 S CA -0.471 57.636 58.200 -0.155 0.000 0.899 313 S CB 1.651 64.812 63.200 -0.064 0.000 1.100 313 S HN 1.919 nan 8.310 nan 0.000 0.482 314 I N 2.197 122.824 120.570 0.096 0.000 2.586 314 I HA 0.600 4.760 4.170 -0.016 0.000 0.288 314 I C -1.528 174.704 176.117 0.192 0.000 1.147 314 I CA -1.036 60.413 61.300 0.249 0.000 1.047 314 I CB 1.237 39.473 38.000 0.393 0.000 1.244 314 I HN 0.960 nan 8.210 nan 0.000 0.429 315 I N 3.989 124.672 120.570 0.189 0.000 3.042 315 I HA 0.611 4.771 4.170 -0.016 0.000 0.310 315 I C -0.776 175.420 176.117 0.133 0.000 1.117 315 I CA -1.076 60.311 61.300 0.145 0.000 1.003 315 I CB 1.852 39.926 38.000 0.124 0.000 1.228 315 I HN 0.406 nan 8.210 nan 0.000 0.443 316 R N 2.655 123.226 120.500 0.117 0.000 2.401 316 R HA 0.285 4.615 4.340 -0.016 0.000 0.299 316 R C 0.831 177.166 176.300 0.059 0.000 1.064 316 R CA 0.407 56.571 56.100 0.106 0.000 1.000 316 R CB 1.392 31.766 30.300 0.123 0.000 0.973 316 R HN 0.962 nan 8.270 nan 0.000 0.438 317 A N 3.747 126.543 122.820 -0.040 0.000 2.015 317 A HA -0.050 4.260 4.320 -0.016 0.000 0.219 317 A C 0.323 177.631 177.584 -0.460 0.000 1.163 317 A CA 1.034 52.900 52.037 -0.284 0.000 0.646 317 A CB 0.039 18.729 19.000 -0.516 0.000 0.806 317 A HN 0.554 nan 8.150 nan 0.000 0.448 318 F N -0.542 119.517 119.950 0.181 0.000 2.564 318 F HA 0.334 4.851 4.527 -0.016 0.000 0.361 318 F C -1.777 174.095 175.800 0.120 0.000 1.161 318 F CA -2.228 55.861 58.000 0.147 0.000 1.198 318 F CB 1.358 40.432 39.000 0.125 0.000 1.424 318 F HN 0.011 nan 8.300 nan 0.000 0.517 319 P HA -0.133 nan 4.420 nan 0.000 0.222 319 P C 0.470 177.846 177.300 0.127 0.000 1.147 319 P CA 1.398 64.578 63.100 0.135 0.000 0.790 319 P CB 0.464 32.222 31.700 0.098 0.000 0.780 320 D N -0.436 120.062 120.400 0.164 0.000 2.350 320 D HA 0.134 4.764 4.640 -0.016 0.000 0.213 320 D C 0.990 177.392 176.300 0.169 0.000 1.031 320 D CA 0.079 54.163 54.000 0.140 0.000 0.861 320 D CB -0.109 40.762 40.800 0.119 0.000 0.926 320 D HN 0.107 nan 8.370 nan 0.000 0.520 321 A N 2.694 125.639 122.820 0.209 0.000 2.498 321 A HA 0.288 4.599 4.320 -0.016 0.000 0.239 321 A C -2.011 175.704 177.584 0.219 0.000 1.068 321 A CA -0.777 51.366 52.037 0.176 0.000 0.766 321 A CB -0.124 18.978 19.000 0.171 0.000 1.003 321 A HN -0.056 nan 8.150 nan 0.000 0.497 322 P HA 0.267 nan 4.420 nan 0.000 0.269 322 P C -0.031 177.261 177.300 -0.012 0.000 1.215 322 P CA 0.137 63.290 63.100 0.089 0.000 0.780 322 P CB 0.484 32.196 31.700 0.020 0.000 0.898 323 A N 1.801 124.434 122.820 -0.311 0.000 2.498 323 A HA 0.409 4.719 4.320 -0.016 0.000 0.239 323 A C 1.572 179.000 177.584 -0.261 0.000 1.068 323 A CA 0.700 52.350 52.037 -0.644 0.000 0.766 323 A CB -1.363 17.006 19.000 -1.053 0.000 1.003 323 A HN 0.900 nan 8.150 nan 0.000 0.497 324 G N 0.908 109.604 108.800 -0.174 0.000 2.212 324 G HA2 -0.229 3.721 3.960 -0.016 0.000 0.266 324 G HA3 -0.229 3.721 3.960 -0.016 0.000 0.266 324 G C 0.710 175.581 174.900 -0.047 0.000 0.978 324 G CA 1.246 46.292 45.100 -0.090 0.000 0.632 324 G HN 2.232 nan 8.290 nan 0.000 0.537 325 S N -0.100 115.580 115.700 -0.033 0.000 2.603 325 S HA 0.743 5.203 4.470 -0.016 0.000 0.268 325 S C 1.716 176.314 174.600 -0.003 0.000 1.317 325 S CA 0.442 58.631 58.200 -0.019 0.000 1.012 325 S CB 1.780 64.970 63.200 -0.016 0.000 0.926 325 S HN 1.667 nan 8.310 nan 0.000 0.539 326 A N 1.971 124.781 122.820 -0.017 0.000 1.933 326 A HA -0.055 4.255 4.320 -0.016 0.000 0.218 326 A C 2.372 179.965 177.584 0.015 0.000 1.175 326 A CA 1.234 53.267 52.037 -0.008 0.000 0.628 326 A CB -0.679 18.308 19.000 -0.022 0.000 0.814 326 A HN 0.913 nan 8.150 nan 0.000 0.444 327 R N -0.726 119.758 120.500 -0.026 0.000 2.115 327 R HA -0.023 4.307 4.340 -0.016 0.000 0.230 327 R C 2.371 178.791 176.300 0.199 0.000 1.111 327 R CA 0.972 57.057 56.100 -0.024 0.000 0.976 327 R CB -0.389 29.704 30.300 -0.345 0.000 0.870 327 R HN 0.506 nan 8.270 nan 0.000 0.445 328 A N 1.289 124.196 122.820 0.145 0.000 2.076 328 A HA -0.183 4.128 4.320 -0.016 0.000 0.220 328 A C 1.589 179.274 177.584 0.168 0.000 1.160 328 A CA 1.364 53.518 52.037 0.195 0.000 0.653 328 A CB -0.151 18.957 19.000 0.181 0.000 0.801 328 A HN 0.230 nan 8.150 nan 0.000 0.455 329 K N -0.594 119.876 120.400 0.117 0.000 2.404 329 K HA 0.199 4.509 4.320 -0.016 0.000 0.194 329 K C -0.400 176.230 176.600 0.049 0.000 1.023 329 K CA -0.081 56.245 56.287 0.066 0.000 1.094 329 K CB 0.495 33.007 32.500 0.020 0.000 0.841 329 K HN 0.273 nan 8.250 nan 0.000 0.523 330 V N 2.783 122.773 119.914 0.127 0.000 2.461 330 V HA 0.246 4.356 4.120 -0.016 0.000 0.275 330 V C -0.125 176.017 176.094 0.080 0.000 1.047 330 V CA -0.359 62.010 62.300 0.114 0.000 0.955 330 V CB 0.816 32.799 31.823 0.267 0.000 0.988 330 V HN 0.133 nan 8.190 nan 0.000 0.471 331 L N 5.822 127.053 121.223 0.014 0.000 2.381 331 L HA 0.647 4.977 4.340 -0.016 0.000 0.268 331 L C -0.774 176.200 176.870 0.174 0.000 0.997 331 L CA -0.552 54.338 54.840 0.085 0.000 0.818 331 L CB 2.253 44.360 42.059 0.080 0.000 1.310 331 L HN 0.430 nan 8.230 nan 0.000 0.416 332 L N 2.243 123.598 121.223 0.220 0.000 2.334 332 L HA 0.590 4.920 4.340 -0.016 0.000 0.273 332 L C -1.170 175.952 176.870 0.420 0.000 1.013 332 L CA -0.492 54.516 54.840 0.280 0.000 0.816 332 L CB 2.185 44.270 42.059 0.043 0.000 1.278 332 L HN 0.383 nan 8.230 nan 0.000 0.431 333 F N 1.574 121.653 119.950 0.215 0.000 2.569 333 F HA 0.606 5.124 4.527 -0.016 0.000 0.312 333 F C -0.496 175.325 175.800 0.036 0.000 1.109 333 F CA -0.362 57.675 58.000 0.062 0.000 0.919 333 F CB 2.059 40.931 39.000 -0.213 0.000 1.211 333 F HN 0.445 nan 8.300 nan 0.000 0.446 334 S N 5.473 120.859 115.700 -0.524 0.000 2.500 334 S HA 0.860 5.320 4.470 -0.016 0.000 0.301 334 S C -1.248 172.963 174.600 -0.649 0.000 1.092 334 S CA -0.555 57.427 58.200 -0.362 0.000 1.030 334 S CB 2.036 65.142 63.200 -0.157 0.000 1.031 334 S HN 1.011 nan 8.310 nan 0.000 0.483 335 N N 0.220 118.762 118.700 -0.263 0.000 3.355 335 N HA 0.322 5.052 4.740 -0.016 0.000 0.238 335 N C -1.599 173.867 175.510 -0.074 0.000 1.466 335 N CA -0.566 52.359 53.050 -0.208 0.000 0.882 335 N CB 0.963 39.274 38.487 -0.293 0.000 1.406 335 N HN 0.941 nan 8.380 nan 0.000 0.500 336 A N 0.059 122.843 122.820 -0.060 0.000 2.396 336 A HA 0.644 4.954 4.320 -0.016 0.000 0.279 336 A C 1.271 178.823 177.584 -0.053 0.000 1.165 336 A CA 0.175 52.164 52.037 -0.079 0.000 0.824 336 A CB -0.382 18.587 19.000 -0.052 0.000 1.100 336 A HN 1.013 nan 8.150 nan 0.000 0.516 337 A N 2.693 125.470 122.820 -0.072 0.000 2.067 337 A HA 0.178 4.488 4.320 -0.016 0.000 0.217 337 A C 1.652 179.200 177.584 -0.061 0.000 1.156 337 A CA 1.107 53.116 52.037 -0.045 0.000 0.683 337 A CB -0.488 18.482 19.000 -0.050 0.000 0.808 337 A HN 1.191 nan 8.150 nan 0.000 0.455 338 S N -0.645 115.009 115.700 -0.078 0.000 2.568 338 S HA 0.067 4.527 4.470 -0.016 0.000 0.282 338 S C 0.760 175.304 174.600 -0.093 0.000 1.338 338 S CA 0.018 58.169 58.200 -0.083 0.000 1.045 338 S CB 0.647 63.798 63.200 -0.082 0.000 0.873 338 S HN 0.547 nan 8.310 nan 0.000 0.516 339 Q N 1.430 121.161 119.800 -0.116 0.000 2.408 339 Q HA 0.038 4.368 4.340 -0.016 0.000 0.205 339 Q C 1.718 177.645 176.000 -0.123 0.000 0.919 339 Q CA 1.090 56.801 55.803 -0.155 0.000 0.932 339 Q CB 0.249 28.857 28.738 -0.216 0.000 1.058 339 Q HN 0.997 nan 8.270 nan 0.000 0.517 340 T N -3.675 110.820 114.554 -0.098 0.000 2.955 340 T HA 0.133 4.473 4.350 -0.016 0.000 0.251 340 T C 0.714 175.374 174.700 -0.067 0.000 1.002 340 T CA 0.300 62.350 62.100 -0.084 0.000 0.970 340 T CB 0.594 69.412 68.868 -0.083 0.000 1.091 340 T HN 0.101 nan 8.240 nan 0.000 0.495 341 S N 0.235 115.897 115.700 -0.063 0.000 2.579 341 S HA 0.572 5.033 4.470 -0.016 0.000 0.272 341 S C -1.085 173.487 174.600 -0.045 0.000 1.141 341 S CA -1.142 57.028 58.200 -0.050 0.000 0.843 341 S CB 1.603 64.773 63.200 -0.050 0.000 1.122 341 S HN 0.271 nan 8.310 nan 0.000 0.468 342 R N 2.071 122.553 120.500 -0.030 0.000 3.247 342 R HA 0.407 4.737 4.340 -0.016 0.000 0.212 342 R C -0.050 176.228 176.300 -0.038 0.000 1.604 342 R CA 0.141 56.230 56.100 -0.018 0.000 1.279 342 R CB -0.486 29.820 30.300 0.010 0.000 1.277 342 R HN 0.801 nan 8.270 nan 0.000 0.669 343 S N -0.548 115.111 115.700 -0.068 0.000 2.752 343 S HA 0.181 4.641 4.470 -0.016 0.000 0.284 343 S C -0.450 174.061 174.600 -0.149 0.000 1.189 343 S CA -1.131 57.008 58.200 -0.101 0.000 0.835 343 S CB 1.473 64.623 63.200 -0.082 0.000 1.192 343 S HN 0.480 nan 8.310 nan 0.000 0.506 344 Q N -0.114 119.572 119.800 -0.190 0.000 2.459 344 Q HA -0.136 4.194 4.340 -0.016 0.000 0.322 344 Q C 0.179 175.974 176.000 -0.342 0.000 1.427 344 Q CA 0.362 56.027 55.803 -0.230 0.000 0.861 344 Q CB -1.786 26.861 28.738 -0.152 0.000 1.137 344 Q HN 1.241 nan 8.270 nan 0.000 0.394 345 G N 1.622 110.054 108.800 -0.613 0.000 2.365 345 G HA2 0.379 4.329 3.960 -0.016 0.000 0.249 345 G HA3 0.379 4.329 3.960 -0.016 0.000 0.249 345 G C -0.308 174.034 174.900 -0.931 0.000 1.288 345 G CA 0.567 45.080 45.100 -0.978 0.000 0.887 345 G HN 0.255 nan 8.290 nan 0.000 0.524 346 T N 2.823 117.218 114.554 -0.266 0.000 2.893 346 T HA 0.422 4.762 4.350 -0.016 0.000 0.293 346 T C -0.166 174.677 174.700 0.238 0.000 1.027 346 T CA -0.499 61.604 62.100 0.006 0.000 0.988 346 T CB 1.534 70.391 68.868 -0.020 0.000 1.043 346 T HN 0.268 nan 8.240 nan 0.000 0.461 347 I N 3.180 123.903 120.570 0.255 0.000 2.353 347 I HA 0.445 4.605 4.170 -0.016 0.000 0.293 347 I C 0.559 176.769 176.117 0.155 0.000 0.992 347 I CA -0.524 60.872 61.300 0.160 0.000 1.268 347 I CB 1.086 39.091 38.000 0.010 0.000 1.387 347 I HN 0.485 nan 8.210 nan 0.000 0.478 348 R N 5.691 126.339 120.500 0.247 0.000 2.778 348 R HA 0.752 5.082 4.340 -0.016 0.000 0.277 348 R C -0.715 175.869 176.300 0.475 0.000 0.977 348 R CA -0.879 55.413 56.100 0.319 0.000 0.950 348 R CB 2.837 33.291 30.300 0.258 0.000 1.165 348 R HN 0.546 nan 8.270 nan 0.000 0.474 349 M N 1.104 120.974 119.600 0.450 0.000 2.393 349 M HA 0.330 4.801 4.480 -0.016 0.000 0.299 349 M C -1.313 175.061 176.300 0.124 0.000 1.103 349 M CA -0.369 55.117 55.300 0.309 0.000 0.910 349 M CB 2.346 35.043 32.600 0.162 0.000 1.659 349 M HN 0.591 nan 8.290 nan 0.000 0.445 350 S N 2.766 118.317 115.700 -0.249 0.000 2.502 350 S HA 0.491 4.952 4.470 -0.016 0.000 0.304 350 S C -0.138 174.291 174.600 -0.285 0.000 1.097 350 S CA -0.782 57.065 58.200 -0.589 0.000 1.045 350 S CB 1.117 63.394 63.200 -1.537 0.000 1.019 350 S HN 0.932 nan 8.310 nan 0.000 0.481 351 c N 2.870 121.358 118.600 -0.188 0.000 2.780 351 c HA 0.360 4.920 4.570 -0.016 0.000 0.287 351 c C 0.406 174.443 174.090 -0.088 0.000 1.288 351 c CA -0.514 55.769 56.329 -0.076 0.000 1.713 351 c CB -1.911 40.590 42.510 -0.016 0.000 1.955 351 c HN 0.901 nan 8.230 nan 0.000 0.613 352 D N -1.457 118.844 120.400 -0.164 0.000 2.952 352 D HA 0.142 4.772 4.640 -0.016 0.000 0.373 352 D C -0.205 176.014 176.300 -0.134 0.000 1.360 352 D CA -0.304 53.622 54.000 -0.123 0.000 0.788 352 D CB -0.695 40.038 40.800 -0.111 0.000 1.192 352 D HN -0.026 nan 8.370 nan 0.000 0.462 353 D N 0.296 120.625 120.400 -0.118 0.000 2.870 353 D HA -0.138 4.492 4.640 -0.016 0.000 0.228 353 D C 1.390 177.617 176.300 -0.122 0.000 1.147 353 D CA 1.691 55.647 54.000 -0.073 0.000 0.757 353 D CB -1.325 39.466 40.800 -0.014 0.000 1.091 353 D HN 0.786 nan 8.370 nan 0.000 0.429 354 G N -0.567 108.035 108.800 -0.329 0.000 2.179 354 G HA2 -0.442 3.508 3.960 -0.016 0.000 0.260 354 G HA3 -0.442 3.508 3.960 -0.016 0.000 0.260 354 G C 1.072 175.828 174.900 -0.240 0.000 0.977 354 G CA 0.917 45.787 45.100 -0.384 0.000 0.641 354 G HN 0.501 nan 8.290 nan 0.000 0.533 355 Q N -0.060 119.617 119.800 -0.204 0.000 2.077 355 Q HA 0.017 4.347 4.340 -0.016 0.000 0.206 355 Q C 1.575 177.492 176.000 -0.138 0.000 0.989 355 Q CA 1.808 57.541 55.803 -0.115 0.000 0.853 355 Q CB -0.142 28.543 28.738 -0.090 0.000 0.907 355 Q HN 0.892 nan 8.270 nan 0.000 0.418 356 T N -4.152 110.214 114.554 -0.312 0.000 2.883 356 T HA 0.477 4.818 4.350 -0.016 0.000 0.296 356 T C -1.719 172.645 174.700 -0.560 0.000 1.117 356 T CA -0.915 61.045 62.100 -0.234 0.000 1.006 356 T CB 1.004 69.804 68.868 -0.114 0.000 1.191 356 T HN 0.238 nan 8.240 nan 0.000 0.508 357 W N 1.947 123.216 121.300 -0.052 0.000 2.319 357 W HA 0.398 5.049 4.660 -0.016 0.000 0.288 357 W C -1.997 174.509 176.519 -0.021 0.000 0.959 357 W CA -2.229 55.094 57.345 -0.037 0.000 1.784 357 W CB 1.038 30.458 29.460 -0.067 0.000 1.848 357 W HN 0.575 nan 8.180 nan 0.000 0.408 358 P HA -0.089 nan 4.420 nan 0.000 0.220 358 P C 0.313 177.689 177.300 0.125 0.000 1.148 358 P CA 1.180 64.342 63.100 0.104 0.000 0.803 358 P CB 0.817 32.573 31.700 0.093 0.000 0.782 359 V N 0.688 120.684 119.914 0.137 0.000 2.417 359 V HA 0.437 4.547 4.120 -0.016 0.000 0.291 359 V C 0.197 176.356 176.094 0.109 0.000 1.024 359 V CA -0.377 61.986 62.300 0.105 0.000 0.861 359 V CB 1.532 33.411 31.823 0.094 0.000 0.985 359 V HN 0.209 nan 8.190 nan 0.000 0.436 360 S N 4.611 120.338 115.700 0.045 0.000 2.540 360 S HA 0.825 5.285 4.470 -0.016 0.000 0.275 360 S C -1.187 173.364 174.600 -0.080 0.000 1.123 360 S CA -0.863 57.347 58.200 0.017 0.000 0.907 360 S CB 2.291 65.512 63.200 0.035 0.000 1.081 360 S HN 0.727 nan 8.310 nan 0.000 0.476 361 K N 2.225 122.554 120.400 -0.118 0.000 2.513 361 K HA 0.563 4.873 4.320 -0.016 0.000 0.251 361 K C -1.545 174.991 176.600 -0.107 0.000 0.939 361 K CA -0.793 55.346 56.287 -0.248 0.000 0.793 361 K CB 2.111 34.214 32.500 -0.661 0.000 1.241 361 K HN 0.625 nan 8.250 nan 0.000 0.431 362 V N 6.328 126.176 119.914 -0.109 0.000 2.508 362 V HA 0.080 4.190 4.120 -0.016 0.000 0.281 362 V C 0.789 176.918 176.094 0.058 0.000 1.041 362 V CA 0.101 62.347 62.300 -0.088 0.000 1.016 362 V CB 0.118 31.859 31.823 -0.137 0.000 0.984 362 V HN 0.804 nan 8.190 nan 0.000 0.478 363 F N 2.257 122.206 119.950 -0.002 0.000 2.656 363 F HA 0.421 4.938 4.527 -0.017 0.000 0.291 363 F C 0.795 176.473 175.800 -0.204 0.000 1.122 363 F CA -0.121 57.792 58.000 -0.146 0.000 1.427 363 F CB 0.294 39.181 39.000 -0.189 0.000 1.125 363 F HN 0.473 nan 8.300 nan 0.000 0.583 364 Q N 1.234 120.648 119.800 -0.645 0.000 2.483 364 Q HA 0.394 4.725 4.340 -0.016 0.000 0.245 364 Q C -2.529 173.263 176.000 -0.347 0.000 0.902 364 Q CA -2.176 53.372 55.803 -0.424 0.000 0.767 364 Q CB 1.759 30.191 28.738 -0.510 0.000 1.341 364 Q HN -0.111 nan 8.270 nan 0.000 0.453 365 P HA -0.023 nan 4.420 nan 0.000 0.217 365 P C 0.393 177.624 177.300 -0.116 0.000 1.150 365 P CA 1.402 64.417 63.100 -0.142 0.000 0.832 365 P CB 0.378 32.025 31.700 -0.088 0.000 0.787 366 G N -0.808 107.940 108.800 -0.085 0.000 2.975 366 G HA2 0.168 4.118 3.960 -0.016 0.000 0.159 366 G HA3 0.168 4.118 3.960 -0.016 0.000 0.159 366 G C -0.385 174.481 174.900 -0.057 0.000 1.525 366 G CA -0.141 44.925 45.100 -0.057 0.000 1.075 366 G HN 0.129 nan 8.290 nan 0.000 0.574 367 S N 0.116 115.806 115.700 -0.017 0.000 2.525 367 S HA 0.425 4.886 4.470 -0.016 0.000 0.285 367 S C -0.140 174.483 174.600 0.038 0.000 1.283 367 S CA 0.121 58.321 58.200 -0.000 0.000 1.072 367 S CB -0.094 63.112 63.200 0.011 0.000 0.867 367 S HN 0.385 nan 8.310 nan 0.000 0.492 368 M N 5.022 124.636 119.600 0.022 0.000 2.272 368 M HA 0.289 4.760 4.480 -0.016 0.000 0.240 368 M C -0.459 175.891 176.300 0.084 0.000 0.991 368 M CA -0.210 55.131 55.300 0.067 0.000 1.008 368 M CB 1.165 33.686 32.600 -0.132 0.000 2.221 368 M HN 0.728 nan 8.290 nan 0.000 0.469 369 S N 3.330 119.123 115.700 0.154 0.000 2.965 369 S HA 0.442 4.902 4.470 -0.016 0.000 0.165 369 S C 0.032 174.826 174.600 0.323 0.000 0.735 369 S CA -0.074 58.235 58.200 0.181 0.000 0.985 369 S CB -0.011 63.239 63.200 0.084 0.000 0.675 369 S HN 0.660 nan 8.310 nan 0.000 0.592 370 Y N 2.241 122.583 120.300 0.070 0.000 2.336 370 Y HA 0.390 4.930 4.550 -0.015 0.000 0.331 370 Y C 0.697 176.664 175.900 0.111 0.000 1.211 370 Y CA -0.380 57.756 58.100 0.061 0.000 1.346 370 Y CB 0.790 39.277 38.460 0.044 0.000 1.271 370 Y HN 0.428 nan 8.280 nan 0.000 0.538 371 S N 1.223 117.033 115.700 0.183 0.000 2.533 371 S HA 0.499 4.959 4.470 -0.016 0.000 0.271 371 S C -1.061 173.569 174.600 0.050 0.000 1.143 371 S CA -0.795 57.493 58.200 0.147 0.000 0.891 371 S CB 2.113 65.382 63.200 0.117 0.000 1.105 371 S HN 0.582 nan 8.310 nan 0.000 0.468 372 T N 2.908 117.509 114.554 0.078 0.000 2.921 372 T HA 0.596 4.936 4.350 -0.016 0.000 0.297 372 T C -1.212 173.538 174.700 0.084 0.000 1.013 372 T CA -0.589 61.552 62.100 0.068 0.000 0.990 372 T CB 0.690 69.620 68.868 0.103 0.000 1.023 372 T HN 0.699 nan 8.240 nan 0.000 0.447 373 L N 3.065 124.334 121.223 0.077 0.000 2.334 373 L HA 0.749 5.079 4.340 -0.016 0.000 0.275 373 L C 0.358 177.307 176.870 0.132 0.000 1.036 373 L CA -0.636 54.268 54.840 0.106 0.000 0.807 373 L CB 2.104 44.226 42.059 0.105 0.000 1.231 373 L HN 0.582 nan 8.230 nan 0.000 0.438 374 T N 1.291 115.932 114.554 0.144 0.000 2.916 374 T HA 0.647 4.987 4.350 -0.016 0.000 0.305 374 T C -0.990 173.794 174.700 0.141 0.000 1.119 374 T CA -0.442 61.743 62.100 0.141 0.000 1.008 374 T CB 1.637 70.586 68.868 0.135 0.000 1.129 374 T HN 0.633 nan 8.240 nan 0.000 0.480 375 A N 4.228 127.124 122.820 0.127 0.000 2.328 375 A HA 0.741 5.051 4.320 -0.016 0.000 0.284 375 A C -0.350 177.177 177.584 -0.094 0.000 1.160 375 A CA -0.421 51.634 52.037 0.030 0.000 0.818 375 A CB 0.080 19.138 19.000 0.097 0.000 1.087 375 A HN 0.788 nan 8.150 nan 0.000 0.504 376 L N 3.461 124.538 121.223 -0.243 0.000 2.334 376 L HA 0.314 4.645 4.340 -0.016 0.000 0.275 376 L C -1.466 175.305 176.870 -0.164 0.000 1.036 376 L CA -1.930 52.807 54.840 -0.171 0.000 0.807 376 L CB 1.805 43.755 42.059 -0.182 0.000 1.231 376 L HN 0.504 nan 8.230 nan 0.000 0.438 377 P HA -0.183 nan 4.420 nan 0.000 0.218 377 P C 0.537 177.788 177.300 -0.082 0.000 1.146 377 P CA 1.067 64.120 63.100 -0.078 0.000 0.813 377 P CB 0.041 31.700 31.700 -0.067 0.000 0.778 378 D N -2.142 118.194 120.400 -0.108 0.000 2.328 378 D HA 0.100 4.730 4.640 -0.016 0.000 0.226 378 D C 1.370 177.605 176.300 -0.109 0.000 1.066 378 D CA 0.455 54.401 54.000 -0.090 0.000 0.861 378 D CB -0.829 39.922 40.800 -0.082 0.000 0.912 378 D HN 0.219 nan 8.370 nan 0.000 0.521 379 G N -0.139 108.559 108.800 -0.171 0.000 2.175 379 G HA2 -0.272 3.678 3.960 -0.016 0.000 0.244 379 G HA3 -0.272 3.678 3.960 -0.016 0.000 0.244 379 G C 0.540 175.188 174.900 -0.419 0.000 0.982 379 G CA 0.632 45.615 45.100 -0.195 0.000 0.641 379 G HN 0.812 nan 8.290 nan 0.000 0.527 380 T N -2.180 112.083 114.554 -0.485 0.000 2.892 380 T HA 0.743 5.083 4.350 -0.016 0.000 0.280 380 T C -0.353 173.708 174.700 -1.064 0.000 1.004 380 T CA -0.773 60.954 62.100 -0.622 0.000 0.950 380 T CB 1.872 70.578 68.868 -0.270 0.000 1.309 380 T HN 0.474 nan 8.240 nan 0.000 0.592 381 Y N -0.965 119.038 120.300 -0.496 0.000 2.391 381 Y HA 0.628 5.168 4.550 -0.017 0.000 0.341 381 Y C 0.744 176.322 175.900 -0.537 0.000 0.965 381 Y CA -0.956 56.770 58.100 -0.623 0.000 1.067 381 Y CB 2.036 39.852 38.460 -1.072 0.000 1.199 381 Y HN 1.093 nan 8.280 nan 0.000 0.450 382 G N 2.156 110.896 108.800 -0.100 0.000 2.400 382 G HA2 0.527 4.477 3.960 -0.016 0.000 0.301 382 G HA3 0.527 4.477 3.960 -0.016 0.000 0.301 382 G C -1.739 173.157 174.900 -0.006 0.000 1.154 382 G CA -0.454 44.667 45.100 0.034 0.000 0.852 382 G HN 0.503 nan 8.290 nan 0.000 0.511 383 L N 2.376 123.513 121.223 -0.142 0.000 2.504 383 L HA 0.545 4.876 4.340 -0.016 0.000 0.265 383 L C -1.407 175.452 176.870 -0.018 0.000 0.975 383 L CA -0.819 53.986 54.840 -0.058 0.000 0.864 383 L CB 1.718 43.711 42.059 -0.109 0.000 1.212 383 L HN 0.404 nan 8.230 nan 0.000 0.416 384 L N 6.630 127.925 121.223 0.121 0.000 2.272 384 L HA 0.709 5.039 4.340 -0.016 0.000 0.289 384 L C -1.031 175.950 176.870 0.186 0.000 1.032 384 L CA -0.124 54.798 54.840 0.137 0.000 0.810 384 L CB 0.947 43.113 42.059 0.178 0.000 1.205 384 L HN 0.668 nan 8.230 nan 0.000 0.422 385 Y N 1.528 121.828 120.300 -0.000 0.000 2.638 385 Y HA 0.646 5.187 4.550 -0.015 0.000 0.335 385 Y C -1.332 174.589 175.900 0.035 0.000 1.155 385 Y CA -1.213 56.919 58.100 0.053 0.000 1.046 385 Y CB 1.169 39.697 38.460 0.113 0.000 1.303 385 Y HN 0.561 nan 8.280 nan 0.000 0.460 386 E N 3.519 123.876 120.200 0.261 0.000 2.073 386 E HA 0.248 4.588 4.350 -0.016 0.000 0.269 386 E C -2.299 174.418 176.600 0.195 0.000 0.917 386 E CA -2.118 54.335 56.400 0.089 0.000 0.757 386 E CB 1.666 31.403 29.700 0.061 0.000 1.111 386 E HN 0.491 nan 8.360 nan 0.000 0.410 387 P HA 0.068 nan 4.420 nan 0.000 0.255 387 P C 0.809 178.132 177.300 0.039 0.000 1.248 387 P CA 0.492 63.659 63.100 0.113 0.000 0.807 387 P CB 0.691 32.407 31.700 0.027 0.000 1.150 388 G N 0.018 108.820 108.800 0.004 0.000 2.254 388 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.225 388 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.225 388 G C 0.875 175.761 174.900 -0.023 0.000 1.003 388 G CA 0.557 45.650 45.100 -0.012 0.000 0.622 388 G HN 0.443 nan 8.290 nan 0.000 0.507 389 T N -1.436 113.098 114.554 -0.033 0.000 3.054 389 T HA 0.584 4.924 4.350 -0.016 0.000 0.255 389 T C 1.701 176.382 174.700 -0.032 0.000 1.035 389 T CA 1.435 63.517 62.100 -0.030 0.000 0.941 389 T CB 1.067 69.913 68.868 -0.036 0.000 1.026 389 T HN 2.263 nan 8.240 nan 0.000 0.533 390 G N 1.682 110.448 108.800 -0.056 0.000 2.130 390 G HA2 0.123 4.073 3.960 -0.016 0.000 0.151 390 G HA3 0.123 4.073 3.960 -0.016 0.000 0.151 390 G C -1.721 173.057 174.900 -0.204 0.000 1.173 390 G CA -0.500 44.556 45.100 -0.073 0.000 1.278 390 G HN 0.322 nan 8.290 nan 0.000 0.479 391 I N 1.484 121.836 120.570 -0.364 0.000 2.466 391 I HA 0.651 4.812 4.170 -0.016 0.000 0.289 391 I C 0.149 175.989 176.117 -0.462 0.000 1.026 391 I CA -0.522 60.503 61.300 -0.458 0.000 1.078 391 I CB 1.539 39.079 38.000 -0.767 0.000 1.249 391 I HN 0.719 nan 8.210 nan 0.000 0.429 392 R N 5.203 125.414 120.500 -0.481 0.000 2.621 392 R HA 0.453 4.783 4.340 -0.016 0.000 0.292 392 R C -1.923 174.147 176.300 -0.384 0.000 0.969 392 R CA -0.632 55.168 56.100 -0.500 0.000 0.887 392 R CB 2.219 32.067 30.300 -0.753 0.000 1.180 392 R HN 0.525 nan 8.270 nan 0.000 0.450 393 Y N 2.955 123.037 120.300 -0.363 0.000 2.335 393 Y HA 0.665 5.205 4.550 -0.017 0.000 0.338 393 Y C -1.344 174.473 175.900 -0.138 0.000 0.977 393 Y CA -0.448 57.505 58.100 -0.244 0.000 1.114 393 Y CB 1.649 39.895 38.460 -0.357 0.000 1.182 393 Y HN 0.753 nan 8.280 nan 0.000 0.463 394 A N 5.096 127.367 122.820 -0.915 0.000 2.380 394 A HA 0.641 4.952 4.320 -0.016 0.000 0.315 394 A C -1.545 175.393 177.584 -1.075 0.000 1.101 394 A CA -0.895 50.649 52.037 -0.823 0.000 0.771 394 A CB 1.295 20.034 19.000 -0.436 0.000 1.287 394 A HN 0.769 nan 8.150 nan 0.000 0.436 395 N N 0.143 118.370 118.700 -0.787 0.000 2.352 395 N HA 0.732 5.462 4.740 -0.016 0.000 0.291 395 N C -1.213 174.049 175.510 -0.413 0.000 1.040 395 N CA -0.515 52.237 53.050 -0.496 0.000 0.864 395 N CB 1.093 39.448 38.487 -0.219 0.000 1.440 395 N HN 0.594 nan 8.380 nan 0.000 0.483 396 F N 0.871 120.641 119.950 -0.300 0.000 2.629 396 F HA 0.690 5.207 4.527 -0.017 0.000 0.316 396 F C -0.736 175.142 175.800 0.130 0.000 1.081 396 F CA -1.132 56.767 58.000 -0.167 0.000 0.954 396 F CB 0.968 39.816 39.000 -0.253 0.000 1.337 396 F HN 0.405 nan 8.300 nan 0.000 0.474 397 N N 1.109 120.081 118.700 0.455 0.000 2.457 397 N HA 0.378 5.108 4.740 -0.016 0.000 0.290 397 N C 0.065 175.960 175.510 0.640 0.000 1.232 397 N CA -1.019 52.277 53.050 0.410 0.000 0.852 397 N CB 1.176 39.805 38.487 0.237 0.000 1.313 397 N HN 0.864 nan 8.380 nan 0.000 0.522 398 L N -0.328 121.196 121.223 0.500 0.000 2.131 398 L HA -0.117 4.213 4.340 -0.016 0.000 0.210 398 L C 2.312 179.383 176.870 0.334 0.000 1.092 398 L CA 1.662 56.756 54.840 0.423 0.000 0.759 398 L CB -0.704 41.560 42.059 0.342 0.000 0.903 398 L HN 0.786 nan 8.230 nan 0.000 0.435 399 A N -0.319 122.684 122.820 0.304 0.000 1.940 399 A HA -0.281 4.029 4.320 -0.016 0.000 0.219 399 A C 2.002 179.742 177.584 0.260 0.000 1.176 399 A CA 1.625 53.804 52.037 0.237 0.000 0.631 399 A CB -1.025 18.097 19.000 0.204 0.000 0.814 399 A HN 0.669 nan 8.150 nan 0.000 0.446 400 W N 0.097 121.519 121.300 0.203 0.000 2.374 400 W HA -0.123 4.528 4.660 -0.015 0.000 0.288 400 W C 1.526 178.127 176.519 0.136 0.000 1.218 400 W CA 1.558 59.017 57.345 0.190 0.000 1.245 400 W CB -0.187 29.444 29.460 0.285 0.000 1.126 400 W HN 0.273 nan 8.180 nan 0.000 0.545 401 L N 1.471 122.761 121.223 0.110 0.000 2.109 401 L HA 0.209 4.539 4.340 -0.016 0.000 0.207 401 L C 1.997 178.728 176.870 -0.233 0.000 1.086 401 L CA 2.265 56.992 54.840 -0.190 0.000 0.760 401 L CB -1.145 40.992 42.059 0.129 0.000 0.910 401 L HN 0.302 nan 8.230 nan 0.000 0.437 402 G N -1.059 107.696 108.800 -0.075 0.000 2.212 402 G HA2 -0.124 3.826 3.960 -0.016 0.000 0.255 402 G HA3 -0.124 3.826 3.960 -0.016 0.000 0.255 402 G C 0.457 175.339 174.900 -0.030 0.000 1.062 402 G CA 0.200 45.261 45.100 -0.065 0.000 0.815 402 G HN 0.855 nan 8.290 nan 0.000 0.497 403 G N -1.210 107.598 108.800 0.014 0.000 2.568 403 G HA2 0.789 4.739 3.960 -0.016 0.000 0.313 403 G HA3 0.789 4.739 3.960 -0.016 0.000 0.313 403 G C -0.645 174.284 174.900 0.049 0.000 1.227 403 G CA -0.703 44.415 45.100 0.030 0.000 0.979 403 G HN 0.949 nan 8.290 nan 0.000 0.486 404 I N -0.477 120.124 120.570 0.052 0.000 2.545 404 I HA 0.321 4.481 4.170 -0.016 0.000 0.292 404 I C -0.371 175.783 176.117 0.061 0.000 1.040 404 I CA -0.927 60.404 61.300 0.052 0.000 1.068 404 I CB 1.750 39.772 38.000 0.035 0.000 1.251 404 I HN 0.421 nan 8.210 nan 0.000 0.424 405 c N 7.302 125.935 118.600 0.055 0.000 2.896 405 c HA 0.477 5.037 4.570 -0.016 0.000 0.499 405 c C 0.869 174.986 174.090 0.046 0.000 1.022 405 c CA -0.222 56.134 56.329 0.046 0.000 1.127 405 c CB -2.145 40.386 42.510 0.036 0.000 1.452 405 c HN 0.646 nan 8.230 nan 0.000 0.580 406 A N 3.983 126.847 122.820 0.073 0.000 3.317 406 A HA 0.471 4.781 4.320 -0.016 0.000 0.307 406 A C -2.410 175.286 177.584 0.186 0.000 1.003 406 A CA -0.820 51.271 52.037 0.090 0.000 0.882 406 A CB 0.242 19.275 19.000 0.055 0.000 1.136 406 A HN 0.512 nan 8.150 nan 0.000 0.488 407 P HA 0.392 nan 4.420 nan 0.000 0.269 407 P C -0.643 176.809 177.300 0.254 0.000 1.209 407 P CA 0.455 63.647 63.100 0.154 0.000 0.776 407 P CB 0.379 32.100 31.700 0.036 0.000 0.876 408 F N -1.089 118.866 119.950 0.008 0.000 2.664 408 F HA 0.780 5.297 4.527 -0.016 0.000 0.317 408 F C -0.874 174.929 175.800 0.004 0.000 1.108 408 F CA -1.037 56.964 58.000 0.000 0.000 0.957 408 F CB 1.537 40.535 39.000 -0.003 0.000 1.365 408 F HN 0.341 nan 8.300 nan 0.000 0.475 409 T N 0.011 114.604 114.554 0.066 0.000 2.876 409 T HA 0.803 5.144 4.350 -0.016 0.000 0.289 409 T C -1.043 173.658 174.700 0.001 0.000 1.014 409 T CA -0.605 61.469 62.100 -0.044 0.000 0.986 409 T CB 1.753 70.606 68.868 -0.025 0.000 1.021 409 T HN 0.752 nan 8.240 nan 0.000 0.458 410 I N 3.386 123.904 120.570 -0.087 0.000 2.533 410 I HA 0.452 4.612 4.170 -0.016 0.000 0.290 410 I C -2.360 173.661 176.117 -0.159 0.000 1.056 410 I CA -2.639 58.531 61.300 -0.216 0.000 1.057 410 I CB 2.844 40.520 38.000 -0.540 0.000 1.240 410 I HN 0.495 nan 8.210 nan 0.000 0.423 411 P HA 0.219 nan 4.420 nan 0.000 0.281 411 P C -1.247 176.101 177.300 0.081 0.000 1.249 411 P CA -0.419 62.670 63.100 -0.018 0.000 0.810 411 P CB 0.832 32.519 31.700 -0.021 0.000 1.008 412 D N 0.048 120.531 120.400 0.139 0.000 2.372 412 D HA 0.262 4.892 4.640 -0.016 0.000 0.243 412 D C -0.222 176.166 176.300 0.148 0.000 1.121 412 D CA 0.127 54.248 54.000 0.202 0.000 0.898 412 D CB 0.968 41.851 40.800 0.139 0.000 1.202 412 D HN 0.062 nan 8.370 nan 0.000 0.428 413 V N -0.105 119.916 119.914 0.178 0.000 2.888 413 V HA 0.695 4.805 4.120 -0.016 0.000 0.309 413 V C -1.457 174.706 176.094 0.115 0.000 1.114 413 V CA -0.672 61.703 62.300 0.126 0.000 0.940 413 V CB 1.904 33.801 31.823 0.124 0.000 1.021 413 V HN 0.671 nan 8.190 nan 0.000 0.426 414 A N 6.309 129.174 122.820 0.075 0.000 2.317 414 A HA 0.951 5.262 4.320 -0.016 0.000 0.327 414 A C -0.932 176.673 177.584 0.035 0.000 1.178 414 A CA -0.424 51.650 52.037 0.062 0.000 0.817 414 A CB 1.163 20.193 19.000 0.049 0.000 1.189 414 A HN 1.738 nan 8.150 nan 0.000 0.489 415 L N -0.799 120.436 121.223 0.020 0.000 2.502 415 L HA 0.859 5.190 4.340 -0.016 0.000 0.253 415 L C -0.674 176.182 176.870 -0.023 0.000 1.070 415 L CA -0.934 53.896 54.840 -0.016 0.000 0.871 415 L CB 0.798 42.823 42.059 -0.057 0.000 1.487 415 L HN 0.474 nan 8.230 nan 0.000 0.408 416 E N -0.037 120.139 120.200 -0.040 0.000 2.222 416 E HA 0.572 4.912 4.350 -0.016 0.000 0.267 416 E C -2.558 173.996 176.600 -0.077 0.000 0.963 416 E CA -2.188 54.191 56.400 -0.036 0.000 0.837 416 E CB 0.766 30.454 29.700 -0.020 0.000 1.183 416 E HN 0.469 nan 8.360 nan 0.000 0.403 417 P HA -0.034 nan 4.420 nan 0.000 0.269 417 P C 0.911 178.148 177.300 -0.105 0.000 1.205 417 P CA 1.424 64.463 63.100 -0.100 0.000 0.780 417 P CB 0.359 32.029 31.700 -0.050 0.000 0.858 418 G N 0.198 108.917 108.800 -0.135 0.000 2.458 418 G HA2 -0.291 3.660 3.960 -0.016 0.000 0.237 418 G HA3 -0.291 3.660 3.960 -0.016 0.000 0.237 418 G C 0.280 175.111 174.900 -0.115 0.000 1.113 418 G CA -0.035 45.000 45.100 -0.108 0.000 0.655 418 G HN 0.606 nan 8.290 nan 0.000 0.513 419 Q N 0.564 120.293 119.800 -0.118 0.000 2.474 419 Q HA 0.445 4.775 4.340 -0.016 0.000 0.256 419 Q C 0.234 176.155 176.000 -0.133 0.000 1.048 419 Q CA 0.498 56.238 55.803 -0.105 0.000 0.922 419 Q CB 0.532 29.218 28.738 -0.087 0.000 1.288 419 Q HN 0.537 nan 8.270 nan 0.000 0.484 420 Q N 1.123 120.867 119.800 -0.094 0.000 2.372 420 Q HA 0.613 4.943 4.340 -0.016 0.000 0.273 420 Q C -2.006 173.961 176.000 -0.055 0.000 1.078 420 Q CA -0.501 55.251 55.803 -0.086 0.000 0.806 420 Q CB 2.370 31.069 28.738 -0.066 0.000 1.332 420 Q HN 0.493 nan 8.270 nan 0.000 0.435 421 V N 1.728 121.617 119.914 -0.042 0.000 3.159 421 V HA 0.682 4.792 4.120 -0.016 0.000 0.308 421 V C -1.389 174.703 176.094 -0.004 0.000 1.190 421 V CA -0.221 62.068 62.300 -0.018 0.000 1.037 421 V CB 2.907 34.724 31.823 -0.010 0.000 1.060 421 V HN 0.907 nan 8.190 nan 0.000 0.437 422 T N 3.289 117.840 114.554 -0.005 0.000 2.879 422 T HA 0.644 4.985 4.350 -0.016 0.000 0.290 422 T C -0.859 173.830 174.700 -0.018 0.000 0.993 422 T CA -0.316 61.779 62.100 -0.008 0.000 0.975 422 T CB 1.375 70.236 68.868 -0.010 0.000 0.981 422 T HN 1.018 nan 8.240 nan 0.000 0.439 423 V N 1.681 121.572 119.914 -0.038 0.000 2.864 423 V HA 0.932 5.042 4.120 -0.016 0.000 0.314 423 V C -2.943 173.104 176.094 -0.078 0.000 1.073 423 V CA -3.047 59.214 62.300 -0.065 0.000 0.956 423 V CB 1.850 33.610 31.823 -0.104 0.000 1.023 423 V HN 0.565 nan 8.190 nan 0.000 0.435 424 P HA 0.541 nan 4.420 nan 0.000 0.284 424 P C -0.999 176.267 177.300 -0.057 0.000 1.258 424 P CA -0.542 62.527 63.100 -0.051 0.000 0.824 424 P CB 1.666 33.346 31.700 -0.033 0.000 1.038 425 V N 1.287 121.183 119.914 -0.030 0.000 2.495 425 V HA 0.655 4.765 4.120 -0.016 0.000 0.298 425 V C 0.098 176.209 176.094 0.028 0.000 1.031 425 V CA -0.770 61.537 62.300 0.011 0.000 0.871 425 V CB 1.387 33.215 31.823 0.009 0.000 0.988 425 V HN 0.721 nan 8.190 nan 0.000 0.432 426 A N 4.823 127.686 122.820 0.071 0.000 2.293 426 A HA 0.757 5.067 4.320 -0.016 0.000 0.312 426 A C -0.691 176.966 177.584 0.121 0.000 1.309 426 A CA -0.453 51.623 52.037 0.064 0.000 0.839 426 A CB 0.933 19.957 19.000 0.040 0.000 1.155 426 A HN 0.649 nan 8.150 nan 0.000 0.501 427 V N 2.851 122.810 119.914 0.075 0.000 2.383 427 V HA 0.329 4.439 4.120 -0.016 0.000 0.275 427 V C 0.362 176.493 176.094 0.062 0.000 1.036 427 V CA -0.156 62.198 62.300 0.090 0.000 0.889 427 V CB 1.353 33.160 31.823 -0.027 0.000 0.985 427 V HN 0.823 nan 8.190 nan 0.000 0.459 428 T N 4.470 119.073 114.554 0.081 0.000 2.762 428 T HA 0.163 4.504 4.350 -0.016 0.000 0.303 428 T C 0.297 175.019 174.700 0.036 0.000 0.977 428 T CA -0.225 61.900 62.100 0.043 0.000 0.961 428 T CB -0.050 68.837 68.868 0.032 0.000 0.944 428 T HN 0.604 nan 8.240 nan 0.000 0.481 429 N N 3.166 121.877 118.700 0.019 0.000 2.402 429 N HA 0.050 4.780 4.740 -0.016 0.000 0.259 429 N C 0.794 176.311 175.510 0.011 0.000 1.167 429 N CA 0.005 53.063 53.050 0.014 0.000 0.949 429 N CB 0.567 39.056 38.487 0.003 0.000 1.212 429 N HN 0.547 nan 8.380 nan 0.000 0.493 430 Q N 0.903 120.712 119.800 0.015 0.000 2.280 430 Q HA 0.051 4.381 4.340 -0.016 0.000 0.201 430 Q C 1.059 177.066 176.000 0.011 0.000 0.890 430 Q CA 0.005 55.813 55.803 0.008 0.000 0.947 430 Q CB 0.323 29.062 28.738 0.003 0.000 1.081 430 Q HN 0.725 nan 8.270 nan 0.000 0.502 431 S N -1.279 114.429 115.700 0.015 0.000 2.501 431 S HA 0.146 4.606 4.470 -0.016 0.000 0.220 431 S C 1.601 176.209 174.600 0.014 0.000 0.997 431 S CA 0.526 58.738 58.200 0.020 0.000 0.919 431 S CB 0.293 63.505 63.200 0.022 0.000 0.778 431 S HN 0.461 nan 8.310 nan 0.000 0.523 432 G N 1.287 110.091 108.800 0.007 0.000 2.176 432 G HA2 -0.232 3.718 3.960 -0.016 0.000 0.253 432 G HA3 -0.232 3.718 3.960 -0.016 0.000 0.253 432 G C -0.013 174.889 174.900 0.002 0.000 0.979 432 G CA 0.387 45.489 45.100 0.002 0.000 0.641 432 G HN 1.151 nan 8.290 nan 0.000 0.530 433 I N -2.850 117.723 120.570 0.004 0.000 2.934 433 I HA 0.921 5.081 4.170 -0.016 0.000 0.306 433 I C 0.183 176.300 176.117 0.000 0.000 1.110 433 I CA -1.206 60.096 61.300 0.004 0.000 1.019 433 I CB 1.968 39.973 38.000 0.008 0.000 1.227 433 I HN 0.512 nan 8.210 nan 0.000 0.434 434 A N 3.147 125.967 122.820 -0.002 0.000 2.354 434 A HA 0.704 5.014 4.320 -0.016 0.000 0.269 434 A C -0.368 177.212 177.584 -0.006 0.000 1.109 434 A CA -0.455 51.579 52.037 -0.005 0.000 0.800 434 A CB 0.789 19.786 19.000 -0.005 0.000 1.045 434 A HN 0.638 nan 8.150 nan 0.000 0.489 435 V N 4.893 124.800 119.914 -0.012 0.000 2.340 435 V HA 0.228 4.338 4.120 -0.016 0.000 0.277 435 V C -1.932 174.152 176.094 -0.018 0.000 1.017 435 V CA -0.773 61.518 62.300 -0.015 0.000 0.820 435 V CB 1.343 33.154 31.823 -0.021 0.000 1.028 435 V HN 0.803 nan 8.190 nan 0.000 0.436 436 P HA -0.066 nan 4.420 nan 0.000 0.218 436 P C 0.559 177.848 177.300 -0.018 0.000 1.149 436 P CA 0.989 64.081 63.100 -0.014 0.000 0.817 436 P CB 0.303 31.997 31.700 -0.010 0.000 0.785 437 K N -0.434 119.954 120.400 -0.019 0.000 2.842 437 K HA 0.241 4.551 4.320 -0.016 0.000 0.176 437 K C -2.559 174.024 176.600 -0.029 0.000 1.080 437 K CA -1.713 54.561 56.287 -0.022 0.000 0.954 437 K CB 0.643 33.134 32.500 -0.015 0.000 1.203 437 K HN -0.011 nan 8.250 nan 0.000 0.611 438 P HA 0.187 nan 4.420 nan 0.000 0.276 438 P C -0.775 176.490 177.300 -0.058 0.000 1.244 438 P CA -0.389 62.678 63.100 -0.056 0.000 0.801 438 P CB 1.640 33.293 31.700 -0.079 0.000 1.006 439 S N 0.703 116.366 115.700 -0.062 0.000 2.632 439 S HA 0.685 5.145 4.470 -0.016 0.000 0.289 439 S C -1.231 173.326 174.600 -0.072 0.000 1.115 439 S CA -0.756 57.412 58.200 -0.053 0.000 0.889 439 S CB 1.390 64.572 63.200 -0.031 0.000 1.116 439 S HN 0.334 nan 8.310 nan 0.000 0.486 440 L N 1.568 122.758 121.223 -0.055 0.000 2.372 440 L HA 0.579 4.909 4.340 -0.016 0.000 0.274 440 L C -0.675 176.197 176.870 0.005 0.000 0.988 440 L CA -0.085 54.723 54.840 -0.052 0.000 0.833 440 L CB 1.750 43.763 42.059 -0.077 0.000 1.236 440 L HN 0.955 nan 8.230 nan 0.000 0.410 441 Q N 3.783 123.602 119.800 0.031 0.000 2.312 441 Q HA 0.724 5.054 4.340 -0.016 0.000 0.263 441 Q C -1.772 174.282 176.000 0.090 0.000 0.995 441 Q CA -0.737 55.096 55.803 0.050 0.000 0.853 441 Q CB 1.852 30.611 28.738 0.036 0.000 1.300 441 Q HN 0.675 nan 8.270 nan 0.000 0.448 442 L N 2.832 124.109 121.223 0.091 0.000 2.365 442 L HA 0.459 4.789 4.340 -0.016 0.000 0.273 442 L C -1.180 175.734 176.870 0.072 0.000 1.000 442 L CA -0.648 54.264 54.840 0.120 0.000 0.819 442 L CB 2.087 44.248 42.059 0.170 0.000 1.284 442 L HN 0.550 nan 8.230 nan 0.000 0.418 443 D N 3.346 123.774 120.400 0.047 0.000 2.441 443 D HA 0.639 5.269 4.640 -0.016 0.000 0.231 443 D C -0.454 175.808 176.300 -0.063 0.000 1.073 443 D CA -0.051 53.943 54.000 -0.010 0.000 0.850 443 D CB 2.024 42.809 40.800 -0.025 0.000 1.062 443 D HN 0.563 nan 8.370 nan 0.000 0.524 444 A N 1.343 124.114 122.820 -0.080 0.000 2.483 444 A HA 0.676 4.986 4.320 -0.016 0.000 0.286 444 A C 0.153 177.560 177.584 -0.295 0.000 1.207 444 A CA -0.686 51.223 52.037 -0.213 0.000 0.764 444 A CB 1.121 20.061 19.000 -0.100 0.000 1.341 444 A HN 0.287 nan 8.150 nan 0.000 0.428 445 S N 1.622 116.941 115.700 -0.635 0.000 2.554 445 S HA 0.161 4.621 4.470 -0.016 0.000 0.290 445 S C -1.332 173.113 174.600 -0.257 0.000 1.309 445 S CA 0.199 58.059 58.200 -0.566 0.000 1.047 445 S CB 0.367 62.944 63.200 -1.040 0.000 0.828 445 S HN 0.606 nan 8.310 nan 0.000 0.509 446 P HA -0.003 nan 4.420 nan 0.000 0.221 446 P C 0.388 177.715 177.300 0.044 0.000 1.155 446 P CA 0.818 63.902 63.100 -0.027 0.000 0.812 446 P CB 0.131 31.818 31.700 -0.023 0.000 0.801 447 D N -1.355 119.093 120.400 0.080 0.000 2.312 447 D HA -0.043 4.587 4.640 -0.016 0.000 0.211 447 D C 0.491 176.937 176.300 0.244 0.000 0.964 447 D CA 0.417 54.504 54.000 0.145 0.000 0.877 447 D CB -0.432 40.443 40.800 0.126 0.000 0.924 447 D HN 0.106 nan 8.370 nan 0.000 0.515 448 W N 1.072 122.334 121.300 -0.064 0.000 2.137 448 W HA 0.306 4.956 4.660 -0.016 0.000 0.344 448 W C 0.606 177.104 176.519 -0.036 0.000 1.286 448 W CA -0.417 56.888 57.345 -0.067 0.000 1.240 448 W CB 0.051 29.452 29.460 -0.098 0.000 1.141 448 W HN -0.222 nan 8.180 nan 0.000 0.579 449 Q N 1.146 121.039 119.800 0.155 0.000 2.394 449 Q HA 0.522 4.852 4.340 -0.016 0.000 0.259 449 Q C -1.305 174.760 176.000 0.108 0.000 1.021 449 Q CA -0.268 55.594 55.803 0.099 0.000 0.805 449 Q CB 1.271 30.032 28.738 0.039 0.000 1.226 449 Q HN 0.226 nan 8.270 nan 0.000 0.476 450 V N 4.364 124.356 119.914 0.130 0.000 2.588 450 V HA 0.620 4.730 4.120 -0.016 0.000 0.304 450 V C -0.686 175.470 176.094 0.104 0.000 1.042 450 V CA -0.759 61.626 62.300 0.142 0.000 0.877 450 V CB 1.763 33.713 31.823 0.212 0.000 0.996 450 V HN 0.732 nan 8.190 nan 0.000 0.425 451 Q N 3.366 123.219 119.800 0.088 0.000 2.379 451 Q HA 0.818 5.148 4.340 -0.016 0.000 0.278 451 Q C -0.902 175.132 176.000 0.056 0.000 1.068 451 Q CA -0.635 55.206 55.803 0.063 0.000 0.816 451 Q CB 2.903 31.665 28.738 0.040 0.000 1.387 451 Q HN 0.846 nan 8.270 nan 0.000 0.413 452 G N 0.453 109.278 108.800 0.041 0.000 2.672 452 G HA2 0.690 4.641 3.960 -0.016 0.000 0.292 452 G HA3 0.690 4.641 3.960 -0.016 0.000 0.292 452 G C -1.332 173.568 174.900 -0.001 0.000 1.375 452 G CA -0.260 44.854 45.100 0.024 0.000 0.890 452 G HN 0.990 nan 8.290 nan 0.000 0.476 453 S N -1.828 113.861 115.700 -0.019 0.000 2.579 453 S HA 0.816 5.276 4.470 -0.016 0.000 0.272 453 S C -1.461 173.107 174.600 -0.053 0.000 1.141 453 S CA -0.731 57.450 58.200 -0.033 0.000 0.843 453 S CB 1.858 65.044 63.200 -0.023 0.000 1.122 453 S HN 1.823 nan 8.310 nan 0.000 0.468 454 V N 0.663 120.537 119.914 -0.068 0.000 3.007 454 V HA 0.613 4.723 4.120 -0.016 0.000 0.311 454 V C -1.098 174.959 176.094 -0.062 0.000 1.120 454 V CA -0.723 61.528 62.300 -0.081 0.000 0.980 454 V CB 2.029 33.768 31.823 -0.140 0.000 1.033 454 V HN 1.103 nan 8.190 nan 0.000 0.429 455 E N 4.523 124.691 120.200 -0.053 0.000 2.345 455 E HA 0.393 4.733 4.350 -0.016 0.000 0.259 455 E C -2.528 174.046 176.600 -0.043 0.000 1.117 455 E CA -1.740 54.636 56.400 -0.040 0.000 0.913 455 E CB 0.515 30.197 29.700 -0.031 0.000 1.057 455 E HN 0.559 nan 8.360 nan 0.000 0.432 456 P HA -0.055 nan 4.420 nan 0.000 0.265 456 P C -0.750 176.531 177.300 -0.031 0.000 1.187 456 P CA 0.490 63.572 63.100 -0.031 0.000 0.766 456 P CB 0.362 32.048 31.700 -0.022 0.000 0.820 457 L N 3.174 124.378 121.223 -0.032 0.000 2.395 457 L HA 0.447 4.777 4.340 -0.016 0.000 0.269 457 L C 0.533 177.392 176.870 -0.017 0.000 1.133 457 L CA -0.173 54.651 54.840 -0.027 0.000 0.812 457 L CB 0.244 42.286 42.059 -0.029 0.000 1.125 457 L HN 0.255 nan 8.230 nan 0.000 0.452 458 M N 2.108 121.701 119.600 -0.013 0.000 2.518 458 M HA 0.428 4.898 4.480 -0.016 0.000 0.300 458 M C -2.583 173.713 176.300 -0.007 0.000 1.175 458 M CA -2.428 52.867 55.300 -0.009 0.000 0.890 458 M CB 2.050 34.645 32.600 -0.009 0.000 1.710 458 M HN 0.116 nan 8.290 nan 0.000 0.453 459 P HA 0.158 nan 4.420 nan 0.000 0.261 459 P C 0.803 178.100 177.300 -0.004 0.000 1.183 459 P CA 1.022 64.120 63.100 -0.004 0.000 0.761 459 P CB 0.198 31.896 31.700 -0.004 0.000 0.785 460 G N 2.379 111.178 108.800 -0.003 0.000 2.179 460 G HA2 -0.255 3.696 3.960 -0.016 0.000 0.257 460 G HA3 -0.255 3.696 3.960 -0.016 0.000 0.257 460 G C 0.129 175.026 174.900 -0.004 0.000 1.010 460 G CA -0.238 44.859 45.100 -0.004 0.000 0.736 460 G HN 0.572 nan 8.290 nan 0.000 0.513 461 R N -0.754 119.744 120.500 -0.003 0.000 2.888 461 R HA 0.542 4.872 4.340 -0.016 0.000 0.266 461 R C -0.247 176.052 176.300 -0.001 0.000 1.020 461 R CA -0.909 55.189 56.100 -0.003 0.000 0.963 461 R CB 1.167 31.464 30.300 -0.006 0.000 1.197 461 R HN 0.323 nan 8.270 nan 0.000 0.481 462 Q N 0.551 120.351 119.800 -0.001 0.000 2.261 462 Q HA 0.501 4.831 4.340 -0.016 0.000 0.252 462 Q C -1.126 174.872 176.000 -0.004 0.000 0.915 462 Q CA -0.313 55.492 55.803 0.003 0.000 0.915 462 Q CB 1.645 30.386 28.738 0.005 0.000 1.204 462 Q HN 0.684 nan 8.270 nan 0.000 0.421 463 A N 3.537 126.352 122.820 -0.007 0.000 2.324 463 A HA 0.508 4.819 4.320 -0.016 0.000 0.330 463 A C -1.008 176.565 177.584 -0.019 0.000 1.165 463 A CA -0.777 51.248 52.037 -0.020 0.000 0.813 463 A CB 0.862 19.840 19.000 -0.037 0.000 1.197 463 A HN 0.780 nan 8.150 nan 0.000 0.484 464 K N 1.474 121.861 120.400 -0.022 0.000 2.098 464 K HA 0.792 5.102 4.320 -0.016 0.000 0.258 464 K C 0.053 176.633 176.600 -0.033 0.000 0.973 464 K CA -0.117 56.158 56.287 -0.021 0.000 0.898 464 K CB 1.772 34.262 32.500 -0.016 0.000 1.057 464 K HN 0.870 nan 8.250 nan 0.000 0.447 465 G N 0.648 109.428 108.800 -0.034 0.000 2.682 465 G HA2 0.422 4.372 3.960 -0.016 0.000 0.303 465 G HA3 0.422 4.372 3.960 -0.016 0.000 0.303 465 G C -1.932 172.947 174.900 -0.035 0.000 1.341 465 G CA -0.901 44.174 45.100 -0.042 0.000 0.784 465 G HN 0.761 nan 8.290 nan 0.000 0.497 466 Q N -1.465 118.314 119.800 -0.035 0.000 2.435 466 Q HA 0.699 5.029 4.340 -0.016 0.000 0.282 466 Q C -1.899 174.085 176.000 -0.027 0.000 1.020 466 Q CA -1.035 54.747 55.803 -0.034 0.000 0.820 466 Q CB 2.649 31.371 28.738 -0.026 0.000 1.436 466 Q HN 0.464 nan 8.270 nan 0.000 0.395 467 V N 1.148 121.042 119.914 -0.034 0.000 2.588 467 V HA 0.540 4.650 4.120 -0.016 0.000 0.304 467 V C -0.639 175.463 176.094 0.014 0.000 1.042 467 V CA -0.449 61.850 62.300 -0.002 0.000 0.877 467 V CB 1.984 33.791 31.823 -0.026 0.000 0.996 467 V HN 0.907 nan 8.190 nan 0.000 0.425 468 T N 6.128 120.704 114.554 0.037 0.000 2.824 468 T HA 0.735 5.075 4.350 -0.016 0.000 0.280 468 T C -0.426 174.313 174.700 0.064 0.000 0.995 468 T CA -0.146 61.975 62.100 0.035 0.000 1.009 468 T CB 1.020 69.898 68.868 0.016 0.000 0.955 468 T HN 0.413 nan 8.240 nan 0.000 0.452 469 I N 2.246 122.846 120.570 0.051 0.000 2.466 469 I HA 0.343 4.503 4.170 -0.016 0.000 0.289 469 I C 0.037 176.118 176.117 -0.060 0.000 1.026 469 I CA -0.649 60.681 61.300 0.050 0.000 1.078 469 I CB 2.215 40.278 38.000 0.104 0.000 1.249 469 I HN 0.453 nan 8.210 nan 0.000 0.429 470 T N 5.568 120.065 114.554 -0.094 0.000 2.758 470 T HA 0.462 4.802 4.350 -0.016 0.000 0.285 470 T C -0.338 174.122 174.700 -0.400 0.000 0.981 470 T CA -0.397 61.593 62.100 -0.184 0.000 0.965 470 T CB 1.477 70.284 68.868 -0.102 0.000 0.927 470 T HN 0.170 nan 8.240 nan 0.000 0.448 471 V N 7.582 127.168 119.914 -0.546 0.000 2.347 471 V HA 0.341 4.452 4.120 -0.016 0.000 0.280 471 V C -2.087 173.721 176.094 -0.477 0.000 1.021 471 V CA -2.193 59.561 62.300 -0.910 0.000 0.847 471 V CB 1.330 32.534 31.823 -1.031 0.000 0.990 471 V HN 0.682 nan 8.190 nan 0.000 0.444 472 P HA 0.149 nan 4.420 nan 0.000 0.270 472 P C -0.263 176.964 177.300 -0.122 0.000 1.227 472 P CA 0.065 63.073 63.100 -0.153 0.000 0.788 472 P CB 0.535 32.206 31.700 -0.049 0.000 0.926 473 A N 0.989 123.767 122.820 -0.069 0.000 2.332 473 A HA 0.541 4.851 4.320 -0.016 0.000 0.258 473 A C 1.475 179.051 177.584 -0.014 0.000 1.087 473 A CA 0.483 52.494 52.037 -0.043 0.000 0.802 473 A CB -0.869 18.112 19.000 -0.031 0.000 1.042 473 A HN 0.797 nan 8.150 nan 0.000 0.489 474 G N -0.258 108.542 108.800 0.001 0.000 2.417 474 G HA2 -0.249 3.701 3.960 -0.016 0.000 0.233 474 G HA3 -0.249 3.701 3.960 -0.016 0.000 0.233 474 G C 0.707 175.635 174.900 0.047 0.000 1.103 474 G CA 0.555 45.668 45.100 0.023 0.000 0.647 474 G HN 1.475 nan 8.290 nan 0.000 0.512 475 T N 2.828 117.411 114.554 0.049 0.000 2.828 475 T HA 0.314 4.654 4.350 -0.016 0.000 0.282 475 T C 0.728 175.511 174.700 0.140 0.000 1.031 475 T CA 1.340 63.505 62.100 0.107 0.000 1.136 475 T CB 0.438 69.340 68.868 0.055 0.000 1.057 475 T HN 0.483 nan 8.240 nan 0.000 0.499 476 T N 6.880 121.569 114.554 0.224 0.000 2.794 476 T HA 0.273 4.613 4.350 -0.016 0.000 0.296 476 T C -1.983 172.864 174.700 0.245 0.000 0.949 476 T CA -1.080 61.139 62.100 0.198 0.000 1.101 476 T CB 0.660 69.640 68.868 0.188 0.000 0.905 476 T HN 0.348 nan 8.240 nan 0.000 0.516 477 P HA 0.322 nan 4.420 nan 0.000 0.264 477 P C 0.197 177.564 177.300 0.111 0.000 1.179 477 P CA 0.556 63.733 63.100 0.129 0.000 0.763 477 P CB 0.349 32.080 31.700 0.052 0.000 0.806 478 G N 1.448 110.313 108.800 0.108 0.000 2.350 478 G HA2 0.174 4.124 3.960 -0.016 0.000 0.305 478 G HA3 0.174 4.124 3.960 -0.016 0.000 0.305 478 G C -1.598 173.294 174.900 -0.013 0.000 1.479 478 G CA -1.014 44.053 45.100 -0.055 0.000 0.949 478 G HN 0.398 nan 8.290 nan 0.000 0.651 479 R N 0.780 121.198 120.500 -0.136 0.000 2.280 479 R HA 0.372 4.702 4.340 -0.016 0.000 0.326 479 R C -1.007 175.216 176.300 -0.127 0.000 1.080 479 R CA -0.364 55.714 56.100 -0.037 0.000 1.002 479 R CB 0.675 30.956 30.300 -0.031 0.000 1.136 479 R HN 0.499 nan 8.270 nan 0.000 0.509 480 Y N 1.478 121.782 120.300 0.005 0.000 2.327 480 Y HA 0.269 4.809 4.550 -0.016 0.000 0.336 480 Y C 0.906 176.712 175.900 -0.158 0.000 1.035 480 Y CA -0.699 57.338 58.100 -0.105 0.000 1.165 480 Y CB 0.997 39.335 38.460 -0.203 0.000 1.181 480 Y HN 0.226 nan 8.280 nan 0.000 0.494 481 R N 2.322 122.781 120.500 -0.067 0.000 2.298 481 R HA 0.497 4.827 4.340 -0.016 0.000 0.310 481 R C -1.323 174.831 176.300 -0.243 0.000 1.068 481 R CA -0.406 55.604 56.100 -0.149 0.000 0.957 481 R CB 0.679 30.913 30.300 -0.110 0.000 1.003 481 R HN 0.485 nan 8.270 nan 0.000 0.454 482 V N 3.115 122.763 119.914 -0.442 0.000 2.459 482 V HA 0.455 4.565 4.120 -0.016 0.000 0.295 482 V C 0.570 176.465 176.094 -0.331 0.000 1.029 482 V CA -0.799 61.213 62.300 -0.479 0.000 0.874 482 V CB 1.803 33.193 31.823 -0.723 0.000 0.985 482 V HN 0.933 nan 8.190 nan 0.000 0.438 483 G N 2.825 111.562 108.800 -0.106 0.000 2.367 483 G HA2 0.684 4.634 3.960 -0.016 0.000 0.314 483 G HA3 0.684 4.634 3.960 -0.016 0.000 0.314 483 G C -0.502 174.487 174.900 0.147 0.000 1.130 483 G CA -0.230 44.883 45.100 0.021 0.000 0.864 483 G HN 1.109 nan 8.290 nan 0.000 0.486 484 A N 1.617 124.573 122.820 0.225 0.000 2.343 484 A HA 0.810 5.120 4.320 -0.016 0.000 0.316 484 A C -0.118 177.672 177.584 0.344 0.000 1.104 484 A CA -0.581 51.651 52.037 0.324 0.000 0.768 484 A CB 1.642 20.937 19.000 0.491 0.000 1.213 484 A HN 0.605 nan 8.150 nan 0.000 0.456 485 T N 2.899 117.601 114.554 0.247 0.000 2.791 485 T HA 0.417 4.757 4.350 -0.016 0.000 0.288 485 T C -0.514 174.236 174.700 0.083 0.000 0.999 485 T CA -0.232 61.985 62.100 0.195 0.000 0.952 485 T CB 0.791 69.718 68.868 0.097 0.000 0.938 485 T HN 0.608 nan 8.240 nan 0.000 0.444 486 L N 4.805 126.035 121.223 0.012 0.000 2.313 486 L HA 0.473 4.803 4.340 -0.016 0.000 0.282 486 L C -0.054 176.775 176.870 -0.069 0.000 1.092 486 L CA 0.142 54.858 54.840 -0.207 0.000 0.831 486 L CB 0.038 41.813 42.059 -0.474 0.000 1.159 486 L HN 0.493 nan 8.230 nan 0.000 0.442 487 R N 3.459 123.920 120.500 -0.064 0.000 2.387 487 R HA 0.699 5.029 4.340 -0.016 0.000 0.314 487 R C -0.367 175.910 176.300 -0.038 0.000 0.958 487 R CA -0.253 55.827 56.100 -0.033 0.000 0.846 487 R CB 1.630 31.918 30.300 -0.020 0.000 1.147 487 R HN 0.843 nan 8.270 nan 0.000 0.447 488 T N -2.213 112.326 114.554 -0.025 0.000 2.778 488 T HA 0.177 4.517 4.350 -0.016 0.000 0.293 488 T C 1.117 175.812 174.700 -0.008 0.000 1.144 488 T CA -0.342 61.745 62.100 -0.021 0.000 1.010 488 T CB 1.348 70.202 68.868 -0.023 0.000 1.325 488 T HN 0.414 nan 8.240 nan 0.000 0.515 489 S N 0.700 116.398 115.700 -0.004 0.000 2.368 489 S HA 0.007 4.467 4.470 -0.016 0.000 0.224 489 S C 2.353 176.960 174.600 0.012 0.000 1.029 489 S CA 0.933 59.136 58.200 0.004 0.000 0.988 489 S CB -1.213 61.990 63.200 0.005 0.000 0.838 489 S HN 1.224 nan 8.310 nan 0.000 0.462 490 A N 1.478 124.307 122.820 0.014 0.000 2.168 490 A HA 0.534 4.845 4.320 -0.016 0.000 0.215 490 A C 1.335 178.934 177.584 0.026 0.000 1.152 490 A CA 0.816 52.867 52.037 0.024 0.000 0.716 490 A CB -0.981 18.034 19.000 0.025 0.000 0.794 490 A HN 1.510 nan 8.150 nan 0.000 0.465 491 G N -1.445 107.363 108.800 0.015 0.000 2.331 491 G HA2 0.158 4.108 3.960 -0.016 0.000 0.402 491 G HA3 0.158 4.108 3.960 -0.016 0.000 0.402 491 G C -1.609 173.296 174.900 0.008 0.000 1.275 491 G CA -0.522 44.584 45.100 0.010 0.000 1.003 491 G HN 0.289 nan 8.290 nan 0.000 0.500 492 N N 0.062 118.767 118.700 0.009 0.000 2.370 492 N HA 0.845 5.575 4.740 -0.016 0.000 0.303 492 N C 0.140 175.685 175.510 0.059 0.000 1.103 492 N CA 0.412 53.475 53.050 0.021 0.000 0.848 492 N CB 1.880 40.372 38.487 0.009 0.000 1.235 492 N HN 1.228 nan 8.380 nan 0.000 0.496 493 A N 0.092 122.978 122.820 0.111 0.000 2.386 493 A HA 0.864 5.174 4.320 -0.016 0.000 0.308 493 A C -0.478 177.306 177.584 0.333 0.000 1.128 493 A CA -0.494 51.669 52.037 0.209 0.000 0.789 493 A CB 0.913 20.075 19.000 0.271 0.000 1.325 493 A HN 0.703 nan 8.150 nan 0.000 0.437 494 S N -0.622 115.246 115.700 0.281 0.000 2.651 494 S HA 0.914 5.374 4.470 -0.016 0.000 0.279 494 S C -0.487 174.053 174.600 -0.100 0.000 1.148 494 S CA -0.100 58.235 58.200 0.225 0.000 0.837 494 S CB 1.744 65.020 63.200 0.127 0.000 1.138 494 S HN 1.599 nan 8.310 nan 0.000 0.478 495 T N 0.210 114.654 114.554 -0.184 0.000 2.739 495 T HA 0.786 5.127 4.350 -0.016 0.000 0.303 495 T C -1.602 173.067 174.700 -0.052 0.000 1.389 495 T CA -0.028 61.907 62.100 -0.274 0.000 1.001 495 T CB 1.341 69.798 68.868 -0.685 0.000 1.436 495 T HN 1.412 nan 8.240 nan 0.000 0.500 496 T N 0.517 115.068 114.554 -0.005 0.000 2.896 496 T HA 0.868 5.208 4.350 -0.016 0.000 0.297 496 T C -1.088 173.723 174.700 0.185 0.000 1.108 496 T CA -0.833 61.307 62.100 0.067 0.000 1.004 496 T CB 1.524 70.388 68.868 -0.007 0.000 1.159 496 T HN 0.843 nan 8.240 nan 0.000 0.499 497 F N -1.659 118.291 119.950 0.001 0.000 2.668 497 F HA 0.785 5.302 4.527 -0.016 0.000 0.309 497 F C -1.039 174.792 175.800 0.052 0.000 1.117 497 F CA -1.104 56.907 58.000 0.019 0.000 0.951 497 F CB 1.250 40.266 39.000 0.027 0.000 1.323 497 F HN 0.599 nan 8.300 nan 0.000 0.451 498 T N 2.049 116.640 114.554 0.062 0.000 2.824 498 T HA 0.600 4.940 4.350 -0.016 0.000 0.280 498 T C -0.892 173.884 174.700 0.127 0.000 0.995 498 T CA -0.631 61.476 62.100 0.012 0.000 1.009 498 T CB 1.732 70.632 68.868 0.054 0.000 0.955 498 T HN 0.558 nan 8.240 nan 0.000 0.452 499 V N 3.880 123.879 119.914 0.141 0.000 2.313 499 V HA 0.310 4.421 4.120 -0.016 0.000 0.278 499 V C 0.309 176.583 176.094 0.300 0.000 1.017 499 V CA -0.710 61.743 62.300 0.256 0.000 0.823 499 V CB 1.335 33.370 31.823 0.354 0.000 1.010 499 V HN 0.992 nan 8.190 nan 0.000 0.443 500 T N 5.045 119.723 114.554 0.207 0.000 2.749 500 T HA 0.428 4.769 4.350 -0.016 0.000 0.295 500 T C -0.069 174.732 174.700 0.168 0.000 0.936 500 T CA -0.179 62.032 62.100 0.185 0.000 1.060 500 T CB 1.178 70.111 68.868 0.109 0.000 0.904 500 T HN 0.321 nan 8.240 nan 0.000 0.500 501 V N 3.314 123.366 119.914 0.229 0.000 2.370 501 V HA 0.579 4.690 4.120 -0.016 0.000 0.283 501 V C 1.207 177.372 176.094 0.117 0.000 1.023 501 V CA -0.255 62.140 62.300 0.159 0.000 0.857 501 V CB 0.887 32.841 31.823 0.218 0.000 0.985 501 V HN 1.173 nan 8.190 nan 0.000 0.443 502 G N 4.871 113.706 108.800 0.059 0.000 2.203 502 G HA2 -0.235 3.715 3.960 -0.016 0.000 0.263 502 G HA3 -0.235 3.715 3.960 -0.016 0.000 0.263 502 G C -0.119 174.798 174.900 0.027 0.000 1.012 502 G CA 0.369 45.491 45.100 0.037 0.000 0.749 502 G HN 0.569 nan 8.290 nan 0.000 0.512 503 L N 0.222 121.463 121.223 0.029 0.000 2.313 503 L HA 0.495 4.825 4.340 -0.016 0.000 0.283 503 L C 1.303 178.163 176.870 -0.017 0.000 1.013 503 L CA -1.195 53.649 54.840 0.007 0.000 0.816 503 L CB 1.387 43.456 42.059 0.017 0.000 1.236 503 L HN 0.011 nan 8.230 nan 0.000 0.419 504 L N 1.949 123.138 121.223 -0.058 0.000 2.498 504 L HA -0.065 4.265 4.340 -0.016 0.000 0.293 504 L C 0.585 177.408 176.870 -0.078 0.000 1.271 504 L CA 0.353 55.118 54.840 -0.125 0.000 0.831 504 L CB 0.133 42.059 42.059 -0.223 0.000 1.091 504 L HN 0.611 nan 8.230 nan 0.000 0.535 505 D N 1.179 121.526 120.400 -0.087 0.000 2.325 505 D HA 0.040 4.670 4.640 -0.016 0.000 0.251 505 D C 0.783 177.060 176.300 -0.038 0.000 1.196 505 D CA 0.110 54.086 54.000 -0.039 0.000 0.866 505 D CB 1.242 42.031 40.800 -0.019 0.000 1.101 505 D HN 0.421 nan 8.370 nan 0.000 0.476 506 Q N 2.386 122.175 119.800 -0.019 0.000 2.291 506 Q HA -0.138 4.192 4.340 -0.016 0.000 0.206 506 Q C 1.672 177.668 176.000 -0.005 0.000 0.976 506 Q CA 1.130 56.927 55.803 -0.011 0.000 0.875 506 Q CB 0.166 28.903 28.738 -0.001 0.000 0.927 506 Q HN 0.602 nan 8.270 nan 0.000 0.450 507 A N 0.737 123.556 122.820 -0.002 0.000 2.066 507 A HA -0.092 4.218 4.320 -0.016 0.000 0.218 507 A C 1.750 179.336 177.584 0.003 0.000 1.157 507 A CA 0.742 52.781 52.037 0.003 0.000 0.670 507 A CB 0.024 19.028 19.000 0.007 0.000 0.804 507 A HN 0.139 nan 8.150 nan 0.000 0.453 508 R N -1.065 119.435 120.500 -0.000 0.000 2.300 508 R HA 0.271 4.601 4.340 -0.016 0.000 0.199 508 R C 0.044 176.342 176.300 -0.005 0.000 0.920 508 R CA 0.060 56.163 56.100 0.004 0.000 1.046 508 R CB -0.123 30.188 30.300 0.017 0.000 0.984 508 R HN 0.485 nan 8.270 nan 0.000 0.493 509 M N 0.986 120.579 119.600 -0.012 0.000 2.288 509 M HA 0.157 4.627 4.480 -0.016 0.000 0.334 509 M C 0.016 176.315 176.300 -0.001 0.000 1.150 509 M CA 0.063 55.355 55.300 -0.013 0.000 1.118 509 M CB 1.800 34.393 32.600 -0.011 0.000 1.501 509 M HN -0.100 nan 8.290 nan 0.000 0.462 510 S N 1.505 117.208 115.700 0.006 0.000 2.588 510 S HA 0.603 5.064 4.470 -0.016 0.000 0.275 510 S C -0.660 173.961 174.600 0.034 0.000 1.130 510 S CA -1.092 57.119 58.200 0.019 0.000 0.855 510 S CB 1.362 64.577 63.200 0.025 0.000 1.116 510 S HN 0.489 nan 8.310 nan 0.000 0.472 511 I N 2.189 122.772 120.570 0.021 0.000 2.505 511 I HA 0.193 4.353 4.170 -0.016 0.000 0.287 511 I C 1.459 177.612 176.117 0.060 0.000 1.104 511 I CA -0.179 61.129 61.300 0.012 0.000 1.387 511 I CB -0.007 37.970 38.000 -0.038 0.000 1.404 511 I HN 0.995 nan 8.210 nan 0.000 0.528 512 A N 6.081 128.974 122.820 0.122 0.000 1.898 512 A HA -0.009 4.302 4.320 -0.016 0.000 0.214 512 A C 0.402 178.043 177.584 0.095 0.000 1.183 512 A CA 1.219 53.368 52.037 0.186 0.000 0.622 512 A CB -0.172 19.053 19.000 0.375 0.000 0.824 512 A HN 0.820 nan 8.150 nan 0.000 0.444 513 D N -4.223 116.196 120.400 0.031 0.000 2.648 513 D HA 0.491 5.121 4.640 -0.016 0.000 0.244 513 D C -1.141 175.083 176.300 -0.126 0.000 1.244 513 D CA -0.392 53.590 54.000 -0.030 0.000 0.772 513 D CB 1.501 42.294 40.800 -0.012 0.000 1.379 513 D HN 0.387 nan 8.370 nan 0.000 0.428 514 V N 0.898 120.736 119.914 -0.127 0.000 2.932 514 V HA 0.349 4.459 4.120 -0.016 0.000 0.307 514 V C -0.228 175.842 176.094 -0.040 0.000 1.147 514 V CA -0.368 61.817 62.300 -0.191 0.000 0.951 514 V CB 2.049 33.686 31.823 -0.310 0.000 1.031 514 V HN 0.855 nan 8.190 nan 0.000 0.426 515 D N 3.146 123.571 120.400 0.042 0.000 2.149 515 D HA 0.030 4.660 4.640 -0.016 0.000 0.201 515 D C 0.641 177.040 176.300 0.165 0.000 0.972 515 D CA 1.184 55.255 54.000 0.117 0.000 0.835 515 D CB 0.799 41.710 40.800 0.185 0.000 0.966 515 D HN 0.501 nan 8.370 nan 0.000 0.476 516 S N -0.937 114.913 115.700 0.250 0.000 2.567 516 S HA 0.424 4.885 4.470 -0.016 0.000 0.270 516 S C -2.184 172.635 174.600 0.365 0.000 1.152 516 S CA -0.679 57.669 58.200 0.248 0.000 0.835 516 S CB 1.733 65.078 63.200 0.241 0.000 1.115 516 S HN 0.447 nan 8.310 nan 0.000 0.459 517 E N 1.431 121.780 120.200 0.249 0.000 2.478 517 E HA 0.371 4.711 4.350 -0.016 0.000 0.293 517 E C -1.654 175.013 176.600 0.113 0.000 1.011 517 E CA -0.759 55.810 56.400 0.283 0.000 0.834 517 E CB 0.938 30.835 29.700 0.329 0.000 1.226 517 E HN 0.379 nan 8.360 nan 0.000 0.419 518 E N 1.641 121.887 120.200 0.076 0.000 2.259 518 E HA 0.289 4.629 4.350 -0.016 0.000 0.281 518 E C 0.110 176.676 176.600 -0.056 0.000 1.037 518 E CA 0.477 56.825 56.400 -0.087 0.000 0.854 518 E CB 1.270 30.856 29.700 -0.190 0.000 1.051 518 E HN 0.665 nan 8.360 nan 0.000 0.409 519 T N 0.662 115.154 114.554 -0.103 0.000 2.993 519 T HA 0.350 4.690 4.350 -0.016 0.000 0.260 519 T C 1.396 176.029 174.700 -0.112 0.000 0.939 519 T CA 0.273 62.326 62.100 -0.079 0.000 0.886 519 T CB 0.116 68.960 68.868 -0.040 0.000 1.209 519 T HN 0.285 nan 8.240 nan 0.000 0.518 520 A N 2.893 125.611 122.820 -0.170 0.000 1.825 520 A HA 0.123 4.433 4.320 -0.016 0.000 0.214 520 A C 2.442 179.910 177.584 -0.193 0.000 1.206 520 A CA 0.793 52.721 52.037 -0.181 0.000 0.609 520 A CB -0.404 18.463 19.000 -0.221 0.000 0.851 520 A HN 0.254 nan 8.150 nan 0.000 0.445 521 R N 0.384 120.696 120.500 -0.314 0.000 2.193 521 R HA 0.053 4.383 4.340 -0.016 0.000 0.213 521 R C 0.312 176.573 176.300 -0.064 0.000 1.055 521 R CA 1.156 57.118 56.100 -0.230 0.000 0.995 521 R CB -0.356 29.679 30.300 -0.441 0.000 0.893 521 R HN 0.910 nan 8.270 nan 0.000 0.459 522 E N -0.796 119.360 120.200 -0.074 0.000 2.447 522 E HA 0.093 4.433 4.350 -0.016 0.000 0.279 522 E C -1.610 174.951 176.600 -0.064 0.000 1.053 522 E CA -0.805 55.584 56.400 -0.018 0.000 0.840 522 E CB 0.748 30.497 29.700 0.081 0.000 1.409 522 E HN -0.264 nan 8.360 nan 0.000 0.461 523 D N 0.553 120.895 120.400 -0.098 0.000 2.470 523 D HA 0.254 4.884 4.640 -0.016 0.000 0.226 523 D C -0.122 176.071 176.300 -0.178 0.000 1.196 523 D CA -0.002 53.926 54.000 -0.120 0.000 0.979 523 D CB 0.267 40.995 40.800 -0.120 0.000 1.059 523 D HN 0.593 nan 8.370 nan 0.000 0.515 524 G N 3.263 112.031 108.800 -0.053 0.000 4.098 524 G HA2 0.084 4.034 3.960 -0.016 0.000 0.300 524 G HA3 0.084 4.034 3.960 -0.016 0.000 0.300 524 G C 0.537 175.574 174.900 0.229 0.000 1.187 524 G CA -0.561 44.580 45.100 0.068 0.000 0.964 524 G HN 0.267 nan 8.290 nan 0.000 0.559 525 R N 0.014 120.593 120.500 0.132 0.000 2.623 525 R HA 0.309 4.639 4.340 -0.016 0.000 0.271 525 R C 1.679 178.098 176.300 0.199 0.000 1.043 525 R CA 0.323 56.509 56.100 0.144 0.000 1.083 525 R CB 0.971 31.299 30.300 0.047 0.000 0.974 525 R HN 0.215 nan 8.270 nan 0.000 0.436 526 A N 2.129 124.987 122.820 0.064 0.000 1.873 526 A HA -0.253 4.057 4.320 -0.016 0.000 0.218 526 A C 2.151 179.710 177.584 -0.041 0.000 1.193 526 A CA 2.206 54.143 52.037 -0.166 0.000 0.629 526 A CB -0.873 17.896 19.000 -0.384 0.000 0.826 526 A HN 0.899 nan 8.150 nan 0.000 0.447 527 S N 0.856 116.543 115.700 -0.022 0.000 2.413 527 S HA -0.325 4.135 4.470 -0.016 0.000 0.237 527 S C 1.654 176.269 174.600 0.024 0.000 1.044 527 S CA 1.647 59.846 58.200 -0.002 0.000 1.024 527 S CB -0.981 62.219 63.200 -0.001 0.000 0.829 527 S HN 0.592 nan 8.310 nan 0.000 0.475 528 N N 2.030 120.758 118.700 0.047 0.000 2.096 528 N HA -0.136 4.594 4.740 -0.016 0.000 0.195 528 N C 1.897 177.459 175.510 0.087 0.000 1.017 528 N CA 1.737 54.823 53.050 0.060 0.000 0.870 528 N CB -1.145 37.375 38.487 0.055 0.000 1.024 528 N HN 0.717 nan 8.380 nan 0.000 0.434 529 V N 0.158 120.145 119.914 0.121 0.000 3.026 529 V HA -0.060 4.050 4.120 -0.016 0.000 0.265 529 V C 1.458 177.585 176.094 0.055 0.000 1.121 529 V CA 1.336 63.699 62.300 0.106 0.000 1.142 529 V CB -0.822 31.084 31.823 0.137 0.000 0.730 529 V HN 0.430 nan 8.190 nan 0.000 0.503 530 I N -1.418 119.174 120.570 0.036 0.000 4.009 530 I HA 0.378 4.539 4.170 -0.016 0.000 0.331 530 I C 1.188 177.315 176.117 0.017 0.000 1.462 530 I CA 0.348 61.661 61.300 0.022 0.000 1.117 530 I CB 0.035 38.043 38.000 0.014 0.000 1.091 530 I HN 0.262 nan 8.210 nan 0.000 0.410 531 D N 1.551 121.963 120.400 0.020 0.000 2.349 531 D HA 0.045 4.676 4.640 -0.016 0.000 0.224 531 D C 1.679 177.989 176.300 0.016 0.000 1.029 531 D CA 0.706 54.715 54.000 0.015 0.000 0.879 531 D CB -0.096 40.711 40.800 0.013 0.000 0.906 531 D HN 0.478 nan 8.370 nan 0.000 0.528 532 G N 0.383 109.193 108.800 0.016 0.000 2.166 532 G HA2 -0.337 3.613 3.960 -0.016 0.000 0.260 532 G HA3 -0.337 3.613 3.960 -0.016 0.000 0.260 532 G C 0.052 174.966 174.900 0.022 0.000 0.986 532 G CA 0.272 45.381 45.100 0.015 0.000 0.683 532 G HN 0.631 nan 8.290 nan 0.000 0.527 533 N N 0.304 119.020 118.700 0.027 0.000 2.444 533 N HA 0.513 5.243 4.740 -0.016 0.000 0.262 533 N C -1.338 174.190 175.510 0.030 0.000 0.974 533 N CA -2.355 50.718 53.050 0.039 0.000 0.933 533 N CB 1.971 40.482 38.487 0.040 0.000 1.137 533 N HN -0.050 nan 8.380 nan 0.000 0.498 534 P HA -0.013 nan 4.420 nan 0.000 0.233 534 P C 0.831 178.153 177.300 0.036 0.000 1.167 534 P CA 0.765 63.865 63.100 -0.000 0.000 0.770 534 P CB 0.290 31.964 31.700 -0.042 0.000 0.837 535 S N -1.978 113.753 115.700 0.051 0.000 2.556 535 S HA 0.075 4.535 4.470 -0.016 0.000 0.216 535 S C 0.748 175.428 174.600 0.132 0.000 0.970 535 S CA -0.057 58.194 58.200 0.084 0.000 0.912 535 S CB -1.109 62.116 63.200 0.042 0.000 0.790 535 S HN 0.181 nan 8.310 nan 0.000 0.504 536 T N 0.280 114.887 114.554 0.088 0.000 2.912 536 T HA 0.761 5.101 4.350 -0.016 0.000 0.288 536 T C -0.728 174.024 174.700 0.086 0.000 1.030 536 T CA -0.950 61.127 62.100 -0.038 0.000 1.020 536 T CB 1.284 70.107 68.868 -0.074 0.000 1.056 536 T HN 0.471 nan 8.240 nan 0.000 0.480 537 F N -1.251 118.737 119.950 0.062 0.000 2.641 537 F HA 0.688 5.205 4.527 -0.016 0.000 0.308 537 F C -1.037 174.867 175.800 0.174 0.000 1.105 537 F CA -2.135 55.916 58.000 0.085 0.000 0.964 537 F CB 0.689 39.704 39.000 0.025 0.000 1.294 537 F HN 0.862 nan 8.300 nan 0.000 0.442 538 W N 4.480 125.910 121.300 0.217 0.000 2.210 538 W HA 0.434 5.085 4.660 -0.016 0.000 0.330 538 W C -1.229 175.504 176.519 0.357 0.000 1.334 538 W CA 0.021 57.474 57.345 0.181 0.000 1.227 538 W CB 0.267 29.795 29.460 0.112 0.000 1.178 538 W HN 0.769 nan 8.180 nan 0.000 0.560 539 H N 4.932 123.954 119.070 -0.080 0.000 2.840 539 H HA 0.215 4.761 4.556 -0.017 0.000 0.340 539 H C -0.090 175.016 175.328 -0.370 0.000 1.004 539 H CA -0.066 55.830 56.048 -0.254 0.000 1.288 539 H CB 1.212 31.111 29.762 0.229 0.000 1.607 539 H HN 0.539 nan 8.280 nan 0.000 0.522 540 T N 1.252 115.501 114.554 -0.508 0.000 2.856 540 T HA -0.023 4.317 4.350 -0.016 0.000 0.329 540 T C 0.554 175.339 174.700 0.141 0.000 1.094 540 T CA -0.529 61.478 62.100 -0.154 0.000 1.112 540 T CB 0.847 69.343 68.868 -0.620 0.000 1.009 540 T HN 0.671 nan 8.240 nan 0.000 0.550 541 E N 1.864 122.134 120.200 0.116 0.000 2.415 541 E HA 0.044 4.384 4.350 -0.016 0.000 0.263 541 E C 0.465 177.092 176.600 0.046 0.000 0.995 541 E CA -0.410 56.014 56.400 0.041 0.000 0.915 541 E CB 0.165 29.884 29.700 0.032 0.000 0.951 541 E HN 0.911 nan 8.360 nan 0.000 0.449 542 W N 3.287 124.430 121.300 -0.263 0.000 2.520 542 W HA 0.108 4.758 4.660 -0.016 0.000 0.272 542 W C 0.475 176.899 176.519 -0.159 0.000 0.984 542 W CA 0.189 57.277 57.345 -0.428 0.000 1.314 542 W CB -0.305 28.516 29.460 -1.064 0.000 0.945 542 W HN 0.456 nan 8.180 nan 0.000 0.596 543 S N 1.507 116.800 115.700 -0.678 0.000 2.743 543 S HA 0.363 4.823 4.470 -0.016 0.000 0.230 543 S C 0.224 174.694 174.600 -0.216 0.000 0.950 543 S CA -0.197 57.652 58.200 -0.586 0.000 0.976 543 S CB -0.333 62.307 63.200 -0.934 0.000 0.779 543 S HN 0.188 nan 8.310 nan 0.000 0.487 544 R N -0.507 119.946 120.500 -0.077 0.000 2.673 544 R HA 0.654 4.984 4.340 -0.016 0.000 0.281 544 R C 0.685 177.033 176.300 0.081 0.000 0.991 544 R CA -0.250 55.849 56.100 -0.003 0.000 0.896 544 R CB 1.283 31.575 30.300 -0.014 0.000 1.201 544 R HN 0.121 nan 8.270 nan 0.000 0.457 545 A N 1.436 124.308 122.820 0.087 0.000 2.019 545 A HA -0.181 4.129 4.320 -0.016 0.000 0.219 545 A C 1.300 178.950 177.584 0.109 0.000 1.164 545 A CA 1.840 53.946 52.037 0.116 0.000 0.644 545 A CB -0.344 18.709 19.000 0.089 0.000 0.805 545 A HN 0.854 nan 8.150 nan 0.000 0.449 546 D N 0.239 120.689 120.400 0.082 0.000 2.349 546 D HA 0.263 4.893 4.640 -0.016 0.000 0.224 546 D C 0.749 177.107 176.300 0.095 0.000 1.029 546 D CA 0.525 54.570 54.000 0.075 0.000 0.879 546 D CB -0.700 40.130 40.800 0.050 0.000 0.906 546 D HN 0.377 nan 8.370 nan 0.000 0.528 547 A N 1.646 124.544 122.820 0.129 0.000 2.555 547 A HA 0.314 4.624 4.320 -0.016 0.000 0.233 547 A C -2.130 175.570 177.584 0.194 0.000 1.060 547 A CA -0.739 51.399 52.037 0.168 0.000 0.759 547 A CB -0.334 18.801 19.000 0.225 0.000 0.995 547 A HN 0.131 nan 8.150 nan 0.000 0.506 548 P HA 0.335 nan 4.420 nan 0.000 0.275 548 P C 0.524 177.967 177.300 0.238 0.000 1.228 548 P CA 0.248 63.456 63.100 0.180 0.000 0.786 548 P CB 0.863 32.669 31.700 0.176 0.000 0.927 549 G N 0.919 109.776 108.800 0.095 0.000 2.543 549 G HA2 0.321 4.272 3.960 -0.016 0.000 0.267 549 G HA3 0.321 4.272 3.960 -0.016 0.000 0.267 549 G C -0.878 173.834 174.900 -0.313 0.000 1.406 549 G CA -0.614 44.507 45.100 0.035 0.000 1.048 549 G HN 0.339 nan 8.290 nan 0.000 0.548 550 Y N 1.496 121.599 120.300 -0.329 0.000 2.480 550 Y HA 0.248 4.788 4.550 -0.017 0.000 0.338 550 Y C -0.864 174.885 175.900 -0.252 0.000 1.220 550 Y CA -0.688 57.153 58.100 -0.432 0.000 1.430 550 Y CB 0.359 38.702 38.460 -0.195 0.000 1.311 550 Y HN 0.280 nan 8.280 nan 0.000 0.575 551 P HA 0.251 nan 4.420 nan 0.000 0.278 551 P C -1.110 175.979 177.300 -0.352 0.000 1.258 551 P CA -0.163 62.887 63.100 -0.082 0.000 0.811 551 P CB 1.300 33.016 31.700 0.028 0.000 1.063 552 H N 0.062 119.136 119.070 0.007 0.000 2.894 552 H HA 0.602 5.148 4.556 -0.016 0.000 0.368 552 H C -0.123 175.311 175.328 0.178 0.000 1.181 552 H CA -0.450 55.630 56.048 0.053 0.000 1.146 552 H CB 2.638 32.362 29.762 -0.063 0.000 1.839 552 H HN 0.457 nan 8.280 nan 0.000 0.557 553 R N 1.606 122.321 120.500 0.359 0.000 2.579 553 R HA 0.433 4.764 4.340 -0.016 0.000 0.260 553 R C -2.026 174.203 176.300 -0.119 0.000 1.103 553 R CA -0.502 55.660 56.100 0.104 0.000 0.942 553 R CB 1.932 32.221 30.300 -0.018 0.000 1.251 553 R HN 0.693 nan 8.270 nan 0.000 0.450 554 I N 2.676 123.111 120.570 -0.226 0.000 2.607 554 I HA 0.436 4.596 4.170 -0.016 0.000 0.290 554 I C -1.485 174.508 176.117 -0.208 0.000 1.129 554 I CA -0.346 60.708 61.300 -0.409 0.000 1.042 554 I CB 2.416 39.934 38.000 -0.804 0.000 1.242 554 I HN 0.702 nan 8.210 nan 0.000 0.421 555 S N 7.443 123.050 115.700 -0.156 0.000 2.526 555 S HA 0.694 5.154 4.470 -0.016 0.000 0.293 555 S C -0.899 173.757 174.600 0.095 0.000 1.092 555 S CA -0.675 57.514 58.200 -0.018 0.000 0.980 555 S CB 1.991 65.166 63.200 -0.042 0.000 1.048 555 S HN 0.457 nan 8.310 nan 0.000 0.483 556 L N 2.100 123.437 121.223 0.189 0.000 2.341 556 L HA 0.537 4.867 4.340 -0.016 0.000 0.278 556 L C -0.640 176.377 176.870 0.245 0.000 1.005 556 L CA -0.866 54.072 54.840 0.163 0.000 0.818 556 L CB 1.416 43.535 42.059 0.101 0.000 1.259 556 L HN 0.536 nan 8.230 nan 0.000 0.418 557 D N 2.955 123.440 120.400 0.143 0.000 2.295 557 D HA 0.230 4.860 4.640 -0.016 0.000 0.248 557 D C 0.489 176.702 176.300 -0.145 0.000 1.154 557 D CA -0.128 53.786 54.000 -0.144 0.000 0.857 557 D CB 1.511 42.283 40.800 -0.046 0.000 1.117 557 D HN 0.431 nan 8.370 nan 0.000 0.468 558 L N 3.040 124.139 121.223 -0.207 0.000 2.591 558 L HA 0.230 4.560 4.340 -0.016 0.000 0.228 558 L C 1.625 178.482 176.870 -0.022 0.000 1.133 558 L CA 0.224 55.018 54.840 -0.076 0.000 0.880 558 L CB -0.287 41.767 42.059 -0.008 0.000 1.033 558 L HN 0.752 nan 8.230 nan 0.000 0.450 559 G N 0.465 109.214 108.800 -0.086 0.000 2.160 559 G HA2 -0.088 3.862 3.960 -0.016 0.000 0.251 559 G HA3 -0.088 3.862 3.960 -0.016 0.000 0.251 559 G C 0.440 175.345 174.900 0.009 0.000 1.008 559 G CA 0.103 45.183 45.100 -0.032 0.000 0.724 559 G HN 0.802 nan 8.290 nan 0.000 0.514 560 G N -2.738 106.052 108.800 -0.016 0.000 2.345 560 G HA2 0.519 4.470 3.960 -0.016 0.000 0.310 560 G HA3 0.519 4.470 3.960 -0.016 0.000 0.310 560 G C -0.544 174.312 174.900 -0.074 0.000 1.476 560 G CA 0.196 45.266 45.100 -0.051 0.000 0.978 560 G HN 0.978 nan 8.290 nan 0.000 0.656 561 T N 1.332 115.776 114.554 -0.182 0.000 2.832 561 T HA 0.602 4.942 4.350 -0.016 0.000 0.296 561 T C -0.311 174.166 174.700 -0.372 0.000 0.968 561 T CA 0.469 62.483 62.100 -0.144 0.000 1.107 561 T CB 0.318 69.134 68.868 -0.086 0.000 0.916 561 T HN 0.539 nan 8.240 nan 0.000 0.517 562 H N 0.210 119.290 119.070 0.017 0.000 2.821 562 H HA 0.393 4.940 4.556 -0.016 0.000 0.373 562 H C -0.081 175.275 175.328 0.047 0.000 1.165 562 H CA -0.675 55.389 56.048 0.027 0.000 1.154 562 H CB 1.133 30.911 29.762 0.027 0.000 1.765 562 H HN 0.413 nan 8.280 nan 0.000 0.549 563 T N 3.864 118.509 114.554 0.151 0.000 2.799 563 T HA 0.359 4.699 4.350 -0.016 0.000 0.296 563 T C 0.402 175.182 174.700 0.133 0.000 0.947 563 T CA -0.199 61.974 62.100 0.121 0.000 1.141 563 T CB -0.608 68.307 68.868 0.078 0.000 0.891 563 T HN 0.448 nan 8.240 nan 0.000 0.533 564 I N 0.069 120.729 120.570 0.151 0.000 2.785 564 I HA 0.761 4.921 4.170 -0.016 0.000 0.302 564 I C 0.346 176.506 176.117 0.072 0.000 1.069 564 I CA -1.019 60.360 61.300 0.132 0.000 1.045 564 I CB 2.562 40.699 38.000 0.229 0.000 1.236 564 I HN 0.542 nan 8.210 nan 0.000 0.429 565 S N 1.289 116.856 115.700 -0.221 0.000 2.904 565 S HA 0.621 5.081 4.470 -0.016 0.000 0.260 565 S C 0.101 174.006 174.600 -1.158 0.000 1.000 565 S CA 0.045 57.893 58.200 -0.587 0.000 1.274 565 S CB 0.248 63.310 63.200 -0.230 0.000 1.196 565 S HN 1.432 nan 8.310 nan 0.000 0.678 566 G N 0.769 108.959 108.800 -1.016 0.000 2.579 566 G HA2 0.566 4.516 3.960 -0.016 0.000 0.292 566 G HA3 0.566 4.516 3.960 -0.016 0.000 0.292 566 G C -2.439 172.411 174.900 -0.084 0.000 1.484 566 G CA -0.680 44.053 45.100 -0.612 0.000 0.813 566 G HN 0.409 nan 8.290 nan 0.000 0.515 567 L N -0.161 121.132 121.223 0.117 0.000 2.381 567 L HA 0.694 5.024 4.340 -0.016 0.000 0.268 567 L C -0.348 176.594 176.870 0.120 0.000 0.997 567 L CA -0.515 54.429 54.840 0.173 0.000 0.818 567 L CB 2.195 44.415 42.059 0.269 0.000 1.310 567 L HN 0.581 nan 8.230 nan 0.000 0.416 568 Q N 3.463 123.312 119.800 0.082 0.000 2.333 568 Q HA 0.287 4.617 4.340 -0.016 0.000 0.268 568 Q C -1.862 174.153 176.000 0.025 0.000 1.007 568 Q CA -0.592 55.235 55.803 0.041 0.000 0.810 568 Q CB 2.399 31.137 28.738 0.000 0.000 1.264 568 Q HN 0.608 nan 8.270 nan 0.000 0.452 569 Y N 1.795 121.960 120.300 -0.225 0.000 2.331 569 Y HA 0.388 4.928 4.550 -0.016 0.000 0.338 569 Y C -0.968 174.724 175.900 -0.345 0.000 0.992 569 Y CA -0.283 57.587 58.100 -0.382 0.000 1.121 569 Y CB 1.411 39.289 38.460 -0.971 0.000 1.184 569 Y HN 0.383 nan 8.280 nan 0.000 0.469 570 T N 7.258 121.349 114.554 -0.771 0.000 2.786 570 T HA 0.391 4.731 4.350 -0.016 0.000 0.283 570 T C -0.401 173.709 174.700 -0.983 0.000 0.992 570 T CA -0.945 60.707 62.100 -0.747 0.000 0.954 570 T CB 0.613 69.275 68.868 -0.345 0.000 0.934 570 T HN 0.797 nan 8.240 nan 0.000 0.440 571 R N 2.288 122.211 120.500 -0.962 0.000 2.774 571 R HA 0.328 4.658 4.340 -0.016 0.000 0.269 571 R C 0.291 176.396 176.300 -0.326 0.000 1.068 571 R CA -0.842 54.899 56.100 -0.598 0.000 1.180 571 R CB 0.823 30.953 30.300 -0.284 0.000 1.077 571 R HN 0.496 nan 8.270 nan 0.000 0.513 572 R N 1.132 121.479 120.500 -0.255 0.000 2.484 572 R HA -0.078 4.252 4.340 -0.016 0.000 0.293 572 R C 0.658 176.814 176.300 -0.240 0.000 1.023 572 R CA 0.065 55.992 56.100 -0.289 0.000 1.037 572 R CB 0.697 30.687 30.300 -0.516 0.000 0.951 572 R HN 0.723 nan 8.270 nan 0.000 0.418 573 Q N 2.391 122.084 119.800 -0.179 0.000 2.123 573 Q HA -0.128 4.203 4.340 -0.016 0.000 0.199 573 Q C 0.753 176.669 176.000 -0.139 0.000 0.966 573 Q CA 1.348 57.068 55.803 -0.139 0.000 0.845 573 Q CB -0.027 28.654 28.738 -0.095 0.000 0.907 573 Q HN 0.717 nan 8.270 nan 0.000 0.439 574 N N -0.290 118.314 118.700 -0.159 0.000 2.251 574 N HA 0.046 4.776 4.740 -0.016 0.000 0.217 574 N C -0.530 174.878 175.510 -0.171 0.000 1.124 574 N CA -0.042 52.929 53.050 -0.132 0.000 0.843 574 N CB 0.782 39.226 38.487 -0.072 0.000 1.024 574 N HN -0.089 nan 8.380 nan 0.000 0.501 575 S N -1.531 114.035 115.700 -0.224 0.000 2.547 575 S HA 0.686 5.147 4.470 -0.016 0.000 0.270 575 S C -0.999 173.476 174.600 -0.209 0.000 1.150 575 S CA -0.176 57.894 58.200 -0.217 0.000 0.850 575 S CB 1.138 64.181 63.200 -0.263 0.000 1.118 575 S HN 0.242 nan 8.310 nan 0.000 0.461 576 A N 2.738 125.450 122.820 -0.179 0.000 2.469 576 A HA 0.386 4.696 4.320 -0.016 0.000 0.245 576 A C 0.723 178.207 177.584 -0.167 0.000 1.221 576 A CA -0.068 51.880 52.037 -0.149 0.000 0.946 576 A CB -0.160 18.775 19.000 -0.109 0.000 1.049 576 A HN 0.629 nan 8.150 nan 0.000 0.529 577 N N 0.516 119.071 118.700 -0.242 0.000 2.235 577 N HA 0.148 4.878 4.740 -0.016 0.000 0.209 577 N C -0.429 174.930 175.510 -0.251 0.000 1.122 577 N CA 0.391 53.208 53.050 -0.389 0.000 0.845 577 N CB 0.544 38.651 38.487 -0.633 0.000 1.004 577 N HN 0.446 nan 8.380 nan 0.000 0.499 578 E N -0.339 119.766 120.200 -0.158 0.000 3.157 578 E HA 0.204 4.545 4.350 -0.016 0.000 0.203 578 E C -0.645 175.936 176.600 -0.032 0.000 0.982 578 E CA -0.156 56.188 56.400 -0.094 0.000 1.217 578 E CB 0.556 30.086 29.700 -0.283 0.000 1.123 578 E HN 0.179 nan 8.360 nan 0.000 0.457 579 Q N 0.631 120.446 119.800 0.025 0.000 2.257 579 Q HA 0.385 4.715 4.340 -0.016 0.000 0.255 579 Q C -0.284 175.818 176.000 0.170 0.000 0.920 579 Q CA -0.850 55.014 55.803 0.101 0.000 0.927 579 Q CB 2.274 31.062 28.738 0.083 0.000 1.229 579 Q HN 0.062 nan 8.270 nan 0.000 0.433 580 V N 2.396 122.463 119.914 0.254 0.000 2.585 580 V HA 0.050 4.160 4.120 -0.016 0.000 0.296 580 V C 0.573 176.784 176.094 0.195 0.000 1.035 580 V CA 0.676 63.120 62.300 0.240 0.000 1.084 580 V CB 0.421 32.359 31.823 0.191 0.000 0.953 580 V HN 1.020 nan 8.190 nan 0.000 0.483 581 A N 4.289 127.172 122.820 0.105 0.000 2.417 581 A HA 0.273 4.583 4.320 -0.016 0.000 0.224 581 A C 0.647 178.240 177.584 0.014 0.000 2.273 581 A CA -0.090 51.987 52.037 0.067 0.000 1.018 581 A CB -0.147 18.846 19.000 -0.012 0.000 1.400 581 A HN 0.696 nan 8.150 nan 0.000 0.580 582 D N 0.045 120.410 120.400 -0.060 0.000 2.382 582 D HA 0.472 5.102 4.640 -0.016 0.000 0.245 582 D C -0.900 175.360 176.300 -0.068 0.000 1.120 582 D CA 0.752 54.665 54.000 -0.145 0.000 0.890 582 D CB 0.779 41.490 40.800 -0.147 0.000 1.201 582 D HN 0.447 nan 8.370 nan 0.000 0.433 583 Y N -1.966 118.197 120.300 -0.229 0.000 2.597 583 Y HA 0.627 5.167 4.550 -0.016 0.000 0.340 583 Y C -0.888 174.928 175.900 -0.141 0.000 1.097 583 Y CA -1.139 56.854 58.100 -0.179 0.000 1.037 583 Y CB 1.350 39.602 38.460 -0.348 0.000 1.305 583 Y HN 0.163 nan 8.280 nan 0.000 0.463 584 E N 1.979 122.272 120.200 0.155 0.000 2.317 584 E HA 0.653 4.993 4.350 -0.016 0.000 0.270 584 E C -1.619 175.060 176.600 0.132 0.000 0.885 584 E CA -0.970 55.464 56.400 0.057 0.000 0.760 584 E CB 3.160 32.885 29.700 0.042 0.000 1.227 584 E HN 0.653 nan 8.360 nan 0.000 0.434 585 I N 2.479 123.005 120.570 -0.074 0.000 2.436 585 I HA 0.338 4.498 4.170 -0.016 0.000 0.289 585 I C -1.236 174.631 176.117 -0.415 0.000 1.010 585 I CA -0.572 60.683 61.300 -0.075 0.000 1.098 585 I CB 0.916 38.925 38.000 0.015 0.000 1.266 585 I HN 0.431 nan 8.210 nan 0.000 0.434 586 Y N 3.258 123.550 120.300 -0.013 0.000 2.468 586 Y HA 0.595 5.136 4.550 -0.016 0.000 0.342 586 Y C 0.651 176.668 175.900 0.195 0.000 1.021 586 Y CA -0.721 57.425 58.100 0.077 0.000 1.079 586 Y CB 2.201 40.741 38.460 0.133 0.000 1.226 586 Y HN 0.522 nan 8.280 nan 0.000 0.460 587 T N -1.665 113.078 114.554 0.316 0.000 2.949 587 T HA 0.783 5.124 4.350 -0.016 0.000 0.287 587 T C -0.588 174.273 174.700 0.269 0.000 1.034 587 T CA -0.919 61.371 62.100 0.317 0.000 1.018 587 T CB 1.833 70.780 68.868 0.132 0.000 1.135 587 T HN 0.525 nan 8.240 nan 0.000 0.532 588 S N -0.382 115.361 115.700 0.072 0.000 2.543 588 S HA 0.460 4.920 4.470 -0.016 0.000 0.273 588 S C 0.123 174.695 174.600 -0.046 0.000 1.152 588 S CA -0.823 57.229 58.200 -0.247 0.000 0.910 588 S CB 1.141 63.693 63.200 -1.079 0.000 1.105 588 S HN 0.733 nan 8.310 nan 0.000 0.465 589 L N 3.349 124.535 121.223 -0.062 0.000 2.416 589 L HA 0.188 4.519 4.340 -0.016 0.000 0.216 589 L C 1.770 178.654 176.870 0.023 0.000 1.098 589 L CA 0.471 55.322 54.840 0.018 0.000 0.840 589 L CB -0.100 41.959 42.059 -0.000 0.000 0.981 589 L HN 0.782 nan 8.230 nan 0.000 0.462 590 N N -0.924 117.698 118.700 -0.130 0.000 2.197 590 N HA 0.071 4.801 4.740 -0.016 0.000 0.201 590 N C 1.282 176.569 175.510 -0.372 0.000 1.148 590 N CA 0.743 53.697 53.050 -0.160 0.000 0.883 590 N CB 0.680 39.072 38.487 -0.159 0.000 1.012 590 N HN 0.091 nan 8.380 nan 0.000 0.507 591 G N -0.333 107.965 108.800 -0.837 0.000 2.179 591 G HA2 -0.344 3.606 3.960 -0.016 0.000 0.260 591 G HA3 -0.344 3.606 3.960 -0.016 0.000 0.260 591 G C 0.804 175.171 174.900 -0.888 0.000 0.977 591 G CA 1.423 45.640 45.100 -1.472 0.000 0.641 591 G HN 0.833 nan 8.290 nan 0.000 0.533 592 T N -3.672 110.454 114.554 -0.713 0.000 3.029 592 T HA 0.397 4.737 4.350 -0.016 0.000 0.256 592 T C 0.804 175.277 174.700 -0.379 0.000 0.914 592 T CA 1.447 63.317 62.100 -0.382 0.000 0.880 592 T CB 0.494 69.250 68.868 -0.188 0.000 1.246 592 T HN 1.394 nan 8.240 nan 0.000 0.523 593 T N 0.066 114.328 114.554 -0.487 0.000 2.771 593 T HA 0.657 4.997 4.350 -0.016 0.000 0.281 593 T C -1.379 173.066 174.700 -0.424 0.000 0.982 593 T CA -0.712 61.203 62.100 -0.308 0.000 0.978 593 T CB 0.911 69.696 68.868 -0.138 0.000 0.930 593 T HN 0.403 nan 8.240 nan 0.000 0.447 594 W N 2.071 123.354 121.300 -0.030 0.000 2.361 594 W HA 0.415 5.066 4.660 -0.016 0.000 0.314 594 W C -0.563 176.026 176.519 0.117 0.000 1.041 594 W CA -0.766 56.593 57.345 0.022 0.000 1.241 594 W CB 1.081 30.490 29.460 -0.085 0.000 1.279 594 W HN 0.564 nan 8.180 nan 0.000 0.436 595 D N 2.319 122.900 120.400 0.301 0.000 2.312 595 D HA 0.532 5.162 4.640 -0.016 0.000 0.252 595 D C 0.726 177.171 176.300 0.242 0.000 1.150 595 D CA 0.812 54.943 54.000 0.219 0.000 0.870 595 D CB 1.465 42.328 40.800 0.106 0.000 1.153 595 D HN 0.607 nan 8.370 nan 0.000 0.457 596 G N 2.534 111.426 108.800 0.154 0.000 2.315 596 G HA2 -0.017 3.933 3.960 -0.016 0.000 0.296 596 G HA3 -0.017 3.933 3.960 -0.016 0.000 0.296 596 G C -2.836 172.019 174.900 -0.074 0.000 1.289 596 G CA -1.125 43.921 45.100 -0.090 0.000 0.996 596 G HN 0.366 nan 8.290 nan 0.000 0.487 597 P HA 0.318 nan 4.420 nan 0.000 0.266 597 P C 1.224 178.303 177.300 -0.370 0.000 1.215 597 P CA 0.303 62.998 63.100 -0.675 0.000 0.763 597 P CB 1.151 32.578 31.700 -0.455 0.000 0.806 598 V N 1.153 120.821 119.914 -0.410 0.000 3.129 598 V HA 0.388 4.498 4.120 -0.016 0.000 0.259 598 V C 0.603 176.577 176.094 -0.200 0.000 1.116 598 V CA 1.123 63.227 62.300 -0.327 0.000 1.127 598 V CB -0.921 30.561 31.823 -0.569 0.000 0.742 598 V HN 0.543 nan 8.190 nan 0.000 0.474 599 A N 0.014 122.733 122.820 -0.169 0.000 2.566 599 A HA 0.817 5.127 4.320 -0.016 0.000 0.297 599 A C -0.406 177.148 177.584 -0.049 0.000 1.059 599 A CA 0.184 52.237 52.037 0.027 0.000 0.691 599 A CB 1.537 20.721 19.000 0.305 0.000 1.282 599 A HN 1.164 nan 8.150 nan 0.000 0.401 600 S N 0.114 115.726 115.700 -0.148 0.000 2.638 600 S HA 1.016 5.476 4.470 -0.016 0.000 0.274 600 S C -0.070 174.121 174.600 -0.681 0.000 1.157 600 S CA -0.092 57.827 58.200 -0.468 0.000 0.826 600 S CB 1.400 64.396 63.200 -0.339 0.000 1.139 600 S HN 2.746 nan 8.310 nan 0.000 0.474 601 G N 0.091 108.238 108.800 -1.088 0.000 2.343 601 G HA2 0.457 4.407 3.960 -0.016 0.000 0.289 601 G HA3 0.457 4.407 3.960 -0.016 0.000 0.289 601 G C -2.053 172.307 174.900 -0.900 0.000 1.295 601 G CA -0.996 43.583 45.100 -0.869 0.000 0.869 601 G HN 0.780 nan 8.290 nan 0.000 0.522 602 R N -0.021 120.247 120.500 -0.386 0.000 2.500 602 R HA 0.572 4.902 4.340 -0.016 0.000 0.299 602 R C -0.696 175.621 176.300 0.028 0.000 1.038 602 R CA -0.668 55.323 56.100 -0.181 0.000 0.903 602 R CB 0.591 30.826 30.300 -0.109 0.000 1.177 602 R HN 0.292 nan 8.270 nan 0.000 0.455 603 F N 1.084 121.154 119.950 0.200 0.000 2.480 603 F HA 0.102 4.620 4.527 -0.016 0.000 0.319 603 F C 1.710 177.561 175.800 0.085 0.000 1.230 603 F CA 0.219 58.283 58.000 0.108 0.000 1.285 603 F CB 0.492 39.449 39.000 -0.071 0.000 1.208 603 F HN 0.456 nan 8.300 nan 0.000 0.579 604 T N -3.333 111.420 114.554 0.331 0.000 2.893 604 T HA 0.356 4.697 4.350 -0.016 0.000 0.279 604 T C 0.732 175.538 174.700 0.176 0.000 0.991 604 T CA -0.025 62.188 62.100 0.188 0.000 0.950 604 T CB 1.062 70.011 68.868 0.136 0.000 1.223 604 T HN 0.623 nan 8.240 nan 0.000 0.585 605 T N -1.758 112.857 114.554 0.102 0.000 3.235 605 T HA 0.253 4.593 4.350 -0.016 0.000 0.251 605 T C 0.847 175.565 174.700 0.030 0.000 1.060 605 T CA -0.366 61.774 62.100 0.066 0.000 0.949 605 T CB -0.500 68.388 68.868 0.033 0.000 1.020 605 T HN 0.574 nan 8.240 nan 0.000 0.564 606 S N 0.703 116.426 115.700 0.039 0.000 2.558 606 S HA 0.208 4.668 4.470 -0.016 0.000 0.288 606 S C 1.160 175.731 174.600 -0.048 0.000 1.318 606 S CA -0.541 57.658 58.200 -0.001 0.000 1.056 606 S CB 0.034 63.240 63.200 0.010 0.000 0.853 606 S HN 0.509 nan 8.310 nan 0.000 0.505 607 L N 3.548 124.729 121.223 -0.070 0.000 2.478 607 L HA 0.175 4.505 4.340 -0.016 0.000 0.223 607 L C 1.340 178.132 176.870 -0.130 0.000 1.140 607 L CA 0.335 55.110 54.840 -0.108 0.000 0.842 607 L CB -0.515 41.487 42.059 -0.096 0.000 0.953 607 L HN 0.680 nan 8.230 nan 0.000 0.452 608 A N -0.161 122.595 122.820 -0.106 0.000 2.304 608 A HA 0.475 4.786 4.320 -0.016 0.000 0.271 608 A C -2.213 175.290 177.584 -0.135 0.000 1.091 608 A CA -1.382 50.587 52.037 -0.112 0.000 0.812 608 A CB -0.280 18.672 19.000 -0.082 0.000 1.056 608 A HN -0.098 nan 8.150 nan 0.000 0.489 609 P HA 0.029 nan 4.420 nan 0.000 0.260 609 P C -0.911 176.347 177.300 -0.070 0.000 1.172 609 P CA 0.837 63.859 63.100 -0.130 0.000 0.760 609 P CB 0.159 31.793 31.700 -0.110 0.000 0.773 610 Q N 3.190 122.959 119.800 -0.050 0.000 2.333 610 Q HA 0.371 4.701 4.340 -0.016 0.000 0.268 610 Q C -0.125 175.937 176.000 0.103 0.000 1.007 610 Q CA -0.683 55.153 55.803 0.054 0.000 0.810 610 Q CB 2.129 30.934 28.738 0.112 0.000 1.264 610 Q HN 0.340 nan 8.270 nan 0.000 0.452 611 R N 0.981 121.551 120.500 0.118 0.000 2.410 611 R HA 0.622 4.952 4.340 -0.016 0.000 0.288 611 R C -0.577 175.841 176.300 0.197 0.000 1.051 611 R CA -0.326 55.847 56.100 0.121 0.000 1.021 611 R CB 0.938 31.279 30.300 0.068 0.000 1.032 611 R HN 0.532 nan 8.270 nan 0.000 0.481 612 A N 2.779 125.717 122.820 0.197 0.000 2.363 612 A HA 0.430 4.740 4.320 -0.016 0.000 0.296 612 A C -0.273 177.420 177.584 0.181 0.000 1.237 612 A CA -0.761 51.422 52.037 0.245 0.000 0.773 612 A CB 0.848 20.004 19.000 0.260 0.000 1.153 612 A HN 0.542 nan 8.150 nan 0.000 0.473 613 V N 0.524 120.507 119.914 0.114 0.000 2.713 613 V HA 0.996 5.106 4.120 -0.016 0.000 0.307 613 V C -0.542 175.592 176.094 0.066 0.000 1.052 613 V CA -0.890 61.368 62.300 -0.070 0.000 0.967 613 V CB 0.756 32.541 31.823 -0.064 0.000 1.019 613 V HN 0.953 nan 8.190 nan 0.000 0.459 614 F N 0.439 120.427 119.950 0.063 0.000 2.643 614 F HA 0.934 5.451 4.527 -0.016 0.000 0.314 614 F C -2.919 172.908 175.800 0.045 0.000 1.096 614 F CA -3.087 54.943 58.000 0.049 0.000 0.953 614 F CB 0.551 39.580 39.000 0.048 0.000 1.345 614 F HN 0.315 nan 8.300 nan 0.000 0.468 615 P HA 0.152 nan 4.420 nan 0.000 0.265 615 P C -0.514 176.892 177.300 0.178 0.000 1.187 615 P CA 0.051 63.238 63.100 0.146 0.000 0.766 615 P CB 0.378 32.153 31.700 0.125 0.000 0.820 616 A N 3.876 126.755 122.820 0.098 0.000 2.546 616 A HA 0.305 4.615 4.320 -0.016 0.000 0.243 616 A C 0.647 178.310 177.584 0.132 0.000 1.063 616 A CA 0.453 52.549 52.037 0.098 0.000 0.757 616 A CB -0.402 18.631 19.000 0.055 0.000 0.991 616 A HN 0.713 nan 8.150 nan 0.000 0.503 617 R N 1.352 121.952 120.500 0.165 0.000 2.692 617 R HA 0.546 4.876 4.340 -0.016 0.000 0.269 617 R C -2.096 174.291 176.300 0.145 0.000 1.030 617 R CA -0.837 55.352 56.100 0.150 0.000 0.882 617 R CB 1.009 31.412 30.300 0.171 0.000 1.250 617 R HN 0.433 nan 8.270 nan 0.000 0.465 618 D N 0.412 120.877 120.400 0.107 0.000 2.198 618 D HA 0.692 5.322 4.640 -0.016 0.000 0.245 618 D C -0.995 175.366 176.300 0.103 0.000 1.079 618 D CA 0.232 54.289 54.000 0.096 0.000 0.854 618 D CB 1.920 42.754 40.800 0.056 0.000 1.148 618 D HN 0.762 nan 8.370 nan 0.000 0.456 619 A N 2.403 125.296 122.820 0.123 0.000 2.606 619 A HA 0.556 4.866 4.320 -0.016 0.000 0.293 619 A C 0.161 177.815 177.584 0.117 0.000 1.082 619 A CA -0.635 51.478 52.037 0.127 0.000 0.685 619 A CB 1.859 20.962 19.000 0.171 0.000 1.284 619 A HN 0.416 nan 8.150 nan 0.000 0.408 620 R N -0.834 119.725 120.500 0.098 0.000 2.307 620 R HA 0.269 4.599 4.340 -0.016 0.000 0.200 620 R C -1.059 175.094 176.300 -0.244 0.000 0.893 620 R CA 0.853 56.926 56.100 -0.045 0.000 1.042 620 R CB 0.208 30.486 30.300 -0.036 0.000 1.059 620 R HN 0.727 nan 8.270 nan 0.000 0.530 621 Y N -0.896 119.452 120.300 0.081 0.000 2.553 621 Y HA 0.507 5.047 4.550 -0.016 0.000 0.347 621 Y C -0.617 175.451 175.900 0.280 0.000 1.019 621 Y CA -0.898 57.296 58.100 0.157 0.000 1.032 621 Y CB 2.368 40.867 38.460 0.064 0.000 1.284 621 Y HN -0.190 nan 8.280 nan 0.000 0.466 622 I N 2.033 122.905 120.570 0.503 0.000 2.686 622 I HA 0.593 4.753 4.170 -0.016 0.000 0.295 622 I C -1.447 174.883 176.117 0.354 0.000 1.114 622 I CA -0.800 60.755 61.300 0.426 0.000 1.038 622 I CB 1.853 40.028 38.000 0.291 0.000 1.238 622 I HN 0.731 nan 8.210 nan 0.000 0.420 623 R N 6.548 127.195 120.500 0.246 0.000 2.561 623 R HA 0.589 4.919 4.340 -0.016 0.000 0.297 623 R C -2.114 174.242 176.300 0.092 0.000 0.969 623 R CA -0.720 55.374 56.100 -0.011 0.000 0.879 623 R CB 1.808 31.792 30.300 -0.527 0.000 1.178 623 R HN 0.598 nan 8.270 nan 0.000 0.445 624 L N 5.228 126.497 121.223 0.076 0.000 2.282 624 L HA 0.468 4.798 4.340 -0.016 0.000 0.288 624 L C -1.397 175.567 176.870 0.156 0.000 1.033 624 L CA -0.404 54.531 54.840 0.158 0.000 0.807 624 L CB 1.912 44.089 42.059 0.197 0.000 1.209 624 L HN 0.401 nan 8.230 nan 0.000 0.423 625 V N 5.206 125.251 119.914 0.218 0.000 2.357 625 V HA 0.679 4.789 4.120 -0.016 0.000 0.284 625 V C 0.347 176.600 176.094 0.265 0.000 1.018 625 V CA -0.574 61.851 62.300 0.208 0.000 0.841 625 V CB 1.146 33.081 31.823 0.188 0.000 0.991 625 V HN 0.940 nan 8.190 nan 0.000 0.437 626 A N 5.294 128.306 122.820 0.319 0.000 2.316 626 A HA 0.628 4.938 4.320 -0.016 0.000 0.311 626 A C 0.760 178.596 177.584 0.421 0.000 1.339 626 A CA -0.297 51.978 52.037 0.397 0.000 0.960 626 A CB 0.198 19.503 19.000 0.508 0.000 1.152 626 A HN 0.909 nan 8.150 nan 0.000 0.547 627 L N 1.996 123.383 121.223 0.273 0.000 2.249 627 L HA 0.079 4.409 4.340 -0.016 0.000 0.207 627 L C 1.161 178.092 176.870 0.100 0.000 1.090 627 L CA 1.128 56.075 54.840 0.179 0.000 0.802 627 L CB -0.102 41.985 42.059 0.046 0.000 0.947 627 L HN 0.828 nan 8.230 nan 0.000 0.453 628 S N -2.351 113.284 115.700 -0.108 0.000 2.638 628 S HA 0.419 4.879 4.470 -0.016 0.000 0.274 628 S C -0.978 173.189 174.600 -0.721 0.000 1.157 628 S CA -0.940 56.894 58.200 -0.612 0.000 0.826 628 S CB 2.691 65.699 63.200 -0.320 0.000 1.139 628 S HN -0.034 nan 8.310 nan 0.000 0.474 629 E N 0.170 119.854 120.200 -0.860 0.000 2.214 629 E HA 0.275 4.615 4.350 -0.016 0.000 0.274 629 E C 0.566 177.078 176.600 -0.146 0.000 0.977 629 E CA -0.572 55.616 56.400 -0.353 0.000 0.827 629 E CB 1.354 30.912 29.700 -0.237 0.000 1.130 629 E HN 0.671 nan 8.360 nan 0.000 0.394 630 Q N 0.799 120.585 119.800 -0.024 0.000 2.133 630 Q HA -0.144 4.186 4.340 -0.016 0.000 0.208 630 Q C 1.236 177.240 176.000 0.006 0.000 0.991 630 Q CA 2.205 58.010 55.803 0.005 0.000 0.867 630 Q CB -0.226 28.535 28.738 0.038 0.000 0.911 630 Q HN 0.605 nan 8.270 nan 0.000 0.417 631 T N -4.575 110.020 114.554 0.068 0.000 3.331 631 T HA 0.508 4.848 4.350 -0.016 0.000 0.282 631 T C 0.852 175.496 174.700 -0.094 0.000 1.010 631 T CA 0.267 62.401 62.100 0.057 0.000 0.928 631 T CB 0.677 69.643 68.868 0.163 0.000 1.154 631 T HN 0.380 nan 8.240 nan 0.000 0.516 632 G N 1.320 110.043 108.800 -0.129 0.000 2.148 632 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.254 632 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.254 632 G C -0.029 174.719 174.900 -0.253 0.000 0.981 632 G CA 0.199 45.167 45.100 -0.219 0.000 0.670 632 G HN 0.771 nan 8.290 nan 0.000 0.528 633 H N -0.746 118.258 119.070 -0.111 0.000 2.639 633 H HA 0.486 5.032 4.556 -0.016 0.000 0.373 633 H C 1.524 176.820 175.328 -0.054 0.000 1.372 633 H CA 0.763 56.757 56.048 -0.091 0.000 1.448 633 H CB 0.627 30.352 29.762 -0.062 0.000 1.544 633 H HN 0.097 nan 8.280 nan 0.000 0.615 634 K N -0.009 120.328 120.400 -0.105 0.000 2.262 634 K HA 0.009 4.320 4.320 -0.016 0.000 0.200 634 K C -0.537 176.042 176.600 -0.035 0.000 1.049 634 K CA 0.570 56.718 56.287 -0.232 0.000 0.979 634 K CB 0.393 32.493 32.500 -0.668 0.000 0.773 634 K HN 0.389 nan 8.250 nan 0.000 0.474 635 Y N -0.253 120.257 120.300 0.350 0.000 2.487 635 Y HA 0.549 5.089 4.550 -0.017 0.000 0.337 635 Y C -0.075 175.804 175.900 -0.035 0.000 1.076 635 Y CA -1.632 56.507 58.100 0.064 0.000 1.115 635 Y CB 1.405 39.852 38.460 -0.021 0.000 1.235 635 Y HN -0.148 nan 8.280 nan 0.000 0.468 636 A N 1.096 123.714 122.820 -0.337 0.000 2.337 636 A HA 0.947 5.257 4.320 -0.016 0.000 0.329 636 A C -0.924 176.198 177.584 -0.771 0.000 1.146 636 A CA -0.362 51.444 52.037 -0.384 0.000 0.800 636 A CB 0.665 19.422 19.000 -0.404 0.000 1.220 636 A HN 0.985 nan 8.150 nan 0.000 0.472 637 A N 1.103 123.609 122.820 -0.523 0.000 2.486 637 A HA 0.737 5.047 4.320 -0.016 0.000 0.300 637 A C -1.306 176.179 177.584 -0.164 0.000 1.048 637 A CA -0.461 51.272 52.037 -0.508 0.000 0.696 637 A CB 1.601 20.241 19.000 -0.599 0.000 1.278 637 A HN 1.396 nan 8.150 nan 0.000 0.405 638 V N 1.158 121.085 119.914 0.021 0.000 2.733 638 V HA 0.600 4.710 4.120 -0.016 0.000 0.306 638 V C 0.812 177.008 176.094 0.171 0.000 1.084 638 V CA 0.160 62.554 62.300 0.157 0.000 0.905 638 V CB 1.511 33.603 31.823 0.448 0.000 1.010 638 V HN 1.392 nan 8.190 nan 0.000 0.424 639 A N 3.116 125.944 122.820 0.013 0.000 1.924 639 A HA 0.402 4.712 4.320 -0.016 0.000 0.211 639 A C 0.648 178.250 177.584 0.030 0.000 1.198 639 A CA 0.755 52.825 52.037 0.055 0.000 0.657 639 A CB 0.210 19.194 19.000 -0.026 0.000 0.852 639 A HN 0.679 nan 8.150 nan 0.000 0.454 640 E N -1.048 119.124 120.200 -0.046 0.000 2.356 640 E HA 0.626 4.966 4.350 -0.016 0.000 0.275 640 E C -1.788 174.805 176.600 -0.012 0.000 0.904 640 E CA -0.328 56.060 56.400 -0.020 0.000 0.757 640 E CB 1.827 31.497 29.700 -0.049 0.000 1.232 640 E HN 0.259 nan 8.360 nan 0.000 0.442 641 L N 1.667 122.909 121.223 0.031 0.000 2.385 641 L HA 0.461 4.791 4.340 -0.016 0.000 0.273 641 L C -0.116 176.773 176.870 0.033 0.000 0.990 641 L CA -0.615 54.255 54.840 0.050 0.000 0.821 641 L CB 1.723 43.838 42.059 0.094 0.000 1.279 641 L HN 0.245 nan 8.230 nan 0.000 0.412 642 E N 2.761 122.978 120.200 0.029 0.000 2.256 642 E HA 0.515 4.855 4.350 -0.016 0.000 0.267 642 E C -1.284 175.338 176.600 0.036 0.000 0.892 642 E CA -0.770 55.641 56.400 0.019 0.000 0.775 642 E CB 3.415 33.115 29.700 -0.000 0.000 1.207 642 E HN 0.171 nan 8.360 nan 0.000 0.420 643 V N 1.994 121.922 119.914 0.025 0.000 2.370 643 V HA 0.196 4.307 4.120 -0.016 0.000 0.283 643 V C 0.140 176.236 176.094 0.003 0.000 1.023 643 V CA -0.767 61.556 62.300 0.037 0.000 0.857 643 V CB 1.170 33.023 31.823 0.050 0.000 0.985 643 V HN 0.537 nan 8.190 nan 0.000 0.443 644 E N 3.166 123.360 120.200 -0.010 0.000 2.316 644 E HA 0.617 4.958 4.350 -0.016 0.000 0.275 644 E C 0.504 177.083 176.600 -0.036 0.000 1.029 644 E CA 0.223 56.600 56.400 -0.037 0.000 0.871 644 E CB 1.494 31.146 29.700 -0.079 0.000 1.022 644 E HN 1.002 nan 8.360 nan 0.000 0.418 645 G N 2.067 110.858 108.800 -0.016 0.000 2.341 645 G HA2 -0.030 3.921 3.960 -0.016 0.000 0.293 645 G HA3 -0.030 3.921 3.960 -0.016 0.000 0.293 645 G C -1.600 173.315 174.900 0.025 0.000 1.298 645 G CA -0.984 44.122 45.100 0.012 0.000 0.868 645 G HN 0.451 nan 8.290 nan 0.000 0.540 646 Q N 0.417 120.258 119.800 0.068 0.000 2.331 646 Q HA 0.540 4.870 4.340 -0.016 0.000 0.257 646 Q C 0.890 176.993 176.000 0.172 0.000 0.957 646 Q CA -0.508 55.347 55.803 0.086 0.000 0.923 646 Q CB 0.723 29.507 28.738 0.076 0.000 1.212 646 Q HN 0.507 nan 8.270 nan 0.000 0.443 647 R N 0.000 120.570 120.500 0.117 0.000 2.786 647 R HA 0.000 4.330 4.340 -0.016 0.000 0.208 647 R CA 0.000 56.190 56.100 0.150 0.000 0.921 647 R CB 0.000 30.336 30.300 0.060 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535